data_2m4m_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 2m4m _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 C--O 1.241 0.639 0 CA-C-O 121.164 0.507 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.12 140.14 37.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.976 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 m -123.45 159.74 27.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 120.926 0.393 . . . . 0.0 111.191 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.6 t -107.78 116.26 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 62.4 t -107.11 126.6 63.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.087 -178.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -139.36 159.11 42.93 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.961 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.91 34.58 5.39 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.617 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -132.45 162.85 30.12 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' O ' HG12 ' A' ' 22' ' ' ILE . 58.8 ttp180 -127.47 153.72 45.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.137 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 19.9 mp0 -68.77 4.73 1.33 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -177.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.41 0.7 45.85 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 120.657 0.265 . . . . 0.0 111.208 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 19' ' ' ARG . 19.8 pt -120.27 9.05 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -178.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 37' ' ' LEU . 24.7 m -58.3 -46.82 85.39 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -173.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -61.22 -37.72 84.03 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.251 0.548 . . . . 0.0 109.74 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.508 ' HG2' ' HH ' ' A' ' 96' ' ' TYR . 41.5 tt0 -78.95 -59.22 2.87 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.535 -176.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.9 tt -66.55 -36.28 76.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -174.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 10.3 tt -63.45 -37.3 86.78 Favored 'General case' 0 C--O 1.199 -1.583 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.655 -178.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.09 -44.67 71.39 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.063 0.227 . . . . 0.0 111.505 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -64.34 -50.41 67.85 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -81.37 -7.68 59.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.843 -175.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.55 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -58.52 -23.55 58.41 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.039 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -58.81 -30.28 67.51 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.479 0.657 . . . . 0.0 109.859 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -102.87 -45.78 4.88 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.558 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.55 ' O ' ' HA ' ' A' ' 31' ' ' ALA . . . -176.05 -163.14 28.18 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.13 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -110.31 156.39 20.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.767 0.283 . . . . 0.0 110.409 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.1 mt -114.75 -57.18 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -174.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.468 ' HB2' ' CG2' ' A' ' 23' ' ' THR . 5.5 mp -106.54 177.98 4.69 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.229 -0.188 . . . . 0.0 111.169 -178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -92.51 -19.86 21.54 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -174.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -88.73 98.83 11.91 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.38 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.2 tp . . . . . 0 N--CA 1.426 -1.667 0 CA-C-O 121.369 0.604 . . . . 0.0 110.805 -176.341 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 N--CA 1.45 -0.436 0 CA-C-O 121.296 0.569 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.72 150.89 23.32 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.147 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -74.75 127.36 32.97 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.992 -177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -122.51 150.02 43.13 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.413 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.59 -156.53 16.66 Favored Glycine 0 N--CA 1.436 -1.343 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.589 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -69.06 -44.6 72.27 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.806 0.336 . . . . 0.0 111.494 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.4 p -133.33 13.45 4.18 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.434 ' CD1' ' HB3' ' A' ' 114' ' ' LEU . 69.2 p-90 -139.31 150.37 45.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.485 0.184 . . . . 0.0 111.156 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 t -143.46 146.57 33.54 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 120.739 0.304 . . . . 0.0 110.939 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -93.34 108.58 20.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.3 mt -100.3 117.25 34.12 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.205 0.526 . . . . 0.0 110.474 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.1 m -110.67 120.92 43.99 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.748 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.462 ' C ' ' H ' ' A' ' 81' ' ' ASN . 77.5 m-85 -109.03 -9.07 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.622 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.67 -23.78 0.15 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.387 0.675 . . . . 0.0 112.472 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 79' ' ' TYR . 3.8 m-20 -107.17 137.43 45.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.929 0.395 . . . . 0.0 110.645 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -68.04 -32.27 72.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.33 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 m -61.11 -47.82 84.53 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.018 0.437 . . . . 0.0 110.672 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -66.99 -36.68 82.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.274 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -58.62 -51.07 71.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.978 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.8 tp -68.98 -41.74 77.47 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.715 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -65.67 -39.51 91.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.777 0.323 . . . . 0.0 111.669 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.19 -13.78 59.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.545 ' O ' ' HB2' ' A' ' 103' ' ' CYS . 37.1 tp -62.51 -43.33 99.07 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.399 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.494 ' O ' ' HD2' ' A' ' 92' ' ' HIS . 27.1 mmt180 49.35 -113.08 0.58 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.943 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 56.46 26.4 10.81 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-O 121.773 0.797 . . . . 0.0 111.461 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.494 ' HD2' ' O ' ' A' ' 90' ' ' ARG . 24.1 m-70 -115.32 46.28 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.609 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.35 35.85 7.81 Favored Glycine 0 CA--C 1.501 -0.799 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.644 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.3 m -91.32 105.21 17.62 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 121.032 0.444 . . . . 0.0 110.824 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 96.3 mt -109.48 122.96 64.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.227 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.508 ' HH ' ' HG2' ' A' ' 25' ' ' GLN . 8.0 t80 -122.81 125.51 45.59 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.089 -177.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 92.6 m 61.18 22.94 13.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.963 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.47 -7.95 58.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.422 -0.894 . . . . 0.0 113.668 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.84 144.58 51.56 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 117.385 0.593 . . . . 0.0 111.121 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -77.65 130.32 36.69 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.263 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.4 pt -86.0 149.6 4.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.37 106.72 2.26 Favored Glycine 0 N--CA 1.433 -1.565 0 C-N-CA 120.306 -0.949 . . . . 0.0 112.959 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 58.5 m -110.4 104.73 13.54 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 175.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.3 m -117.6 162.2 29.93 Favored Pre-proline 0 C--N 1.305 -1.358 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.348 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -64.72 152.98 79.98 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.541 2.161 . . . . 0.0 110.576 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -62.29 124.13 20.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.119 0.485 . . . . 0.0 111.542 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.496 ' O ' HG12 ' A' ' 111' ' ' ILE . 99.3 mttt -131.5 128.58 39.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.119 177.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -66.46 -42.98 86.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.58 0.229 . . . . 0.0 111.562 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.18 -35.01 79.73 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.075 0.464 . . . . 0.0 110.601 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 51.1 tp -62.48 -40.4 96.55 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.095 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 107' ' ' LYS . 45.1 mm -60.99 -43.59 96.4 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.155 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.4 m -60.04 -42.12 93.77 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.48 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.53 -43.42 85.23 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.208 0.527 . . . . 0.0 110.542 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 82.5 mt -63.15 -39.96 96.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.585 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.824 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 . . . . . 0 C--O 1.236 0.388 0 CA-C-O 121.2 0.524 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.35 142.67 51.38 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.594 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -123.36 157.34 29.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 120.944 0.402 . . . . 0.0 111.322 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -111.56 114.86 48.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.9 t -115.73 130.46 70.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 120.949 0.404 . . . . 0.0 110.219 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -144.56 156.2 44.03 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.76 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.71 -21.74 4.43 Favored Glycine 0 C--N 1.32 -0.323 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.474 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.476 ' HH ' ' HB ' ' A' ' 75' ' ' THR . 38.9 p90 -99.73 150.8 21.93 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.933 0.397 . . . . 0.0 110.779 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -74.21 -83.3 0.05 Allowed 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -174.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 179.85 -52.56 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.451 0.643 . . . . 0.0 109.476 -174.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 0.37 3.78 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.699 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 pt -88.2 17.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.559 0.218 . . . . 0.0 110.799 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.448 HG21 ' HB3' ' A' ' 39' ' ' ASP . 35.8 m -45.11 -71.59 0.07 Allowed 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -176.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.522 ' HZ1' ' CG ' ' A' ' 39' ' ' ASP . 12.4 mptt -58.16 -37.46 74.73 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -173.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.485 ' HG2' ' OH ' ' A' ' 96' ' ' TYR . 42.4 tt0 -61.93 -65.82 0.63 Allowed 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.72 -177.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.2 tt -70.03 -26.97 30.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 120.962 0.41 . . . . 0.0 111.793 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 23' ' ' THR . 36.5 tp -62.7 -37.51 86.76 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.441 -177.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.92 -34.84 57.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.841 0.353 . . . . 0.0 111.916 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -93.23 -44.0 8.55 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -85.85 -11.53 53.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.51 -19.75 63.72 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 118.125 0.42 . . . . 0.0 110.81 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -67.74 -27.59 66.92 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.164 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.47 ' HB3' ' CE1' ' A' ' 79' ' ' TYR . 89.8 m-85 -88.09 -51.36 5.83 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.603 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 177.23 -167.61 38.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.411 -0.9 . . . . 0.0 112.885 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -82.83 116.91 22.36 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.05 0.452 . . . . 0.0 110.173 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.447 ' O ' HG23 ' A' ' 75' ' ' THR . 38.1 mm -92.97 -53.34 8.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.541 -177.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.43 -172.91 3.62 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.857 -178.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 45.0 mt-10 -90.06 -138.85 0.14 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.868 -176.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.522 ' CG ' ' HZ1' ' A' ' 24' ' ' LYS . 10.0 t70 71.19 -75.26 0.08 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.3 0.64 . . . . 0.0 110.757 -176.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.2 mt . . . . . 0 N--CA 1.471 0.618 0 C-N-CA 124.876 1.27 . . . . 0.0 114.251 177.666 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 CA--C 1.542 0.663 0 CA-C-O 121.141 0.496 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -143.36 158.17 43.86 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -73.02 111.2 7.91 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.81 0.814 . . . . 0.0 111.47 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -129.31 128.27 42.83 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.016 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.47 -119.85 3.48 Favored Glycine 0 N--CA 1.433 -1.543 0 C-N-CA 120.427 -0.892 . . . . 0.0 110.968 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -91.48 -76.35 0.45 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 120.892 0.377 . . . . 0.0 109.993 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 p -107.6 3.01 24.38 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.13 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -113.08 135.92 53.27 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.509 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.476 ' HB ' ' HH ' ' A' ' 18' ' ' TYR . 39.2 m -135.23 129.3 33.45 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.025 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -84.59 126.95 33.79 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 173.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.417 HD12 ' OH ' ' A' ' 79' ' ' TYR . 96.1 mt -112.89 115.55 28.62 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.223 0.535 . . . . 0.0 110.974 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 87.9 m -110.34 114.06 27.22 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.624 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.47 ' CE1' ' HB3' ' A' ' 33' ' ' PHE . 92.9 m-85 -108.45 -1.52 19.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.91 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.71 -41.37 0.48 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.574 0.749 . . . . 0.0 112.396 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 79' ' ' TYR . 33.7 m-80 -86.36 140.75 29.74 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 120.966 0.413 . . . . 0.0 110.705 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.505 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 33.9 t-80 -84.59 -19.88 32.34 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.006 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.4 m -61.44 -40.2 93.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.703 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 p -80.14 -12.0 59.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.555 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 67.1 t80 -60.3 -46.72 88.88 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.042 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.98 -42.77 99.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.279 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.51 -40.01 81.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.184 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.51 -13.63 59.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.942 0.401 . . . . 0.0 111.466 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.571 ' HA ' ' SG ' ' A' ' 103' ' ' CYS . 39.8 tp -83.04 -6.56 59.54 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.173 -178.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -59.39 125.44 23.65 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.507 0.67 . . . . 0.0 112.474 -175.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -138.69 6.44 2.47 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.198 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -75.77 95.76 3.52 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.472 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 68.13 26.5 74.06 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.472 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.0 m -93.26 99.54 12.07 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.006 0.432 . . . . 0.0 111.325 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.406 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 96.8 mt -116.01 126.61 73.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.016 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.485 ' OH ' ' HG2' ' A' ' 25' ' ' GLN . 12.0 t80 -139.03 134.31 32.83 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.897 -178.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.4 t 69.2 12.45 8.46 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.114 0.483 . . . . 0.0 111.299 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.72 -0.93 52.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.094 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.82 156.13 48.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.961 0.381 . . . . 0.0 111.1 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -88.78 129.92 35.46 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.248 178.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 30.4 pt -84.93 132.87 30.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 120.999 0.428 . . . . 0.0 110.161 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.26 131.92 10.76 Favored Glycine 0 CA--C 1.496 -1.134 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.346 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.571 ' SG ' ' HA ' ' A' ' 89' ' ' LEU . 42.4 t -131.21 124.22 30.13 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.068 0.461 . . . . 0.0 110.315 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.7 m -132.5 161.57 62.44 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.308 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.37 154.42 73.69 Favored 'Trans proline' 0 C--O 1.24 0.58 0 C-N-CA 122.646 2.23 . . . . 0.0 111.595 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -59.26 106.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.184 0.516 . . . . 0.0 110.801 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.535 ' O ' HG12 ' A' ' 111' ' ' ILE . 57.8 mtmt -116.0 126.5 53.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.108 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -56.91 -41.3 77.9 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -177.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.19 -44.45 95.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.914 0.387 . . . . 0.0 110.869 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.543 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 59.8 tp -62.86 -43.28 99.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.564 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 107' ' ' LYS . 46.2 mm -62.31 -42.94 97.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.243 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 t -60.73 -45.03 95.83 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.318 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -64.82 -41.01 96.1 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.046 0.451 . . . . 0.0 110.924 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 88.8 mt -64.55 -38.53 91.33 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.251 0.548 . . . . 0.0 110.903 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 41.3 m . . . . . 0 CA--C 1.541 0.613 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.345 -178.874 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 . . . . . 0 C--O 1.236 0.369 0 CA-C-O 120.985 0.421 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.77 129.41 35.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.627 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.5 m -129.87 164.97 31.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.803 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.3 t -116.48 126.97 74.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.643 HG21 ' SG ' ' A' ' 103' ' ' CYS . 22.6 t -114.25 131.2 66.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -143.03 164.83 29.02 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.029 0.442 . . . . 0.0 111.868 -177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.77 -6.89 20.02 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.697 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.424 ' HB2' HG12 ' A' ' 22' ' ' ILE . 38.2 p90 -122.23 175.69 6.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.796 0.331 . . . . 0.0 111.154 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -136.27 164.87 27.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.381 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.461 ' HA ' HD23 ' A' ' 37' ' ' LEU . 16.9 tp10 -69.32 85.46 0.4 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.411 0.624 . . . . 0.0 109.438 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.47 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.02 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.424 HG12 ' HB2' ' A' ' 18' ' ' TYR . 2.8 pp -87.51 12.09 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.497 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.506 HG22 ' HB2' ' A' ' 37' ' ' LEU . 7.2 m -45.04 -72.88 0.05 OUTLIER 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 114.094 -1.412 . . . . 0.0 113.845 -173.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -61.17 -35.46 77.17 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 120.737 0.304 . . . . 0.0 111.563 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -61.24 -58.17 9.37 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.359 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.439 HG23 HG12 ' A' ' 36' ' ' ILE . 8.6 tt -69.95 -26.37 29.92 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 CA-C-O 121.203 0.525 . . . . 0.0 110.627 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 23' ' ' THR . 8.9 tt -60.95 -41.17 95.79 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.047 -178.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.86 -25.01 55.7 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -91.69 -49.18 6.42 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -89.94 -8.68 51.18 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -174.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.14 -3.94 12.14 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -55.29 -40.0 70.53 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -106.68 -9.96 16.31 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.007 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.15 166.86 41.49 Favored Glycine 0 C--O 1.224 -0.492 0 CA-C-N 115.736 -0.665 . . . . 0.0 114.457 175.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 66.45 112.66 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.068 0.947 . . . . 0.0 112.496 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.532 ' C ' HD12 ' A' ' 37' ' ' LEU . 8.3 tp -145.65 -47.86 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 121.013 0.435 . . . . 0.0 111.332 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.532 HD12 ' C ' ' A' ' 36' ' ' ILE . 6.7 mp -144.38 -169.87 3.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -178.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -81.51 -47.99 12.41 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.47 115.27 11.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.549 0.69 . . . . 0.0 110.661 -175.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.82 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.019 -171.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.976 0.417 . . . . 0.0 111.373 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 76' ' ' LYS . 5.7 tpm_? -82.46 154.68 25.0 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.682 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -74.53 145.05 43.78 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.009 0.433 . . . . 0.0 110.767 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -134.14 161.24 35.42 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.104 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.543 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -110.28 -118.4 3.94 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.301 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -111.64 -73.17 0.68 Allowed 'General case' 0 CA--C 1.502 -0.872 0 CA-C-O 120.834 0.349 . . . . 0.0 110.723 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 p -102.44 13.15 35.3 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.11 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.543 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 38.4 p-90 -137.32 140.66 41.65 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.518 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.4 m -130.11 129.02 43.0 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.301 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 87.0 tttt -86.45 131.06 34.28 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 176.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.6 mt -126.59 134.94 50.68 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.72 0.295 . . . . 0.0 111.654 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 83.1 m -112.22 100.28 8.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.996 0.427 . . . . 0.0 110.492 176.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.456 ' HB3' ' OG ' ' A' ' 84' ' ' SER . 96.3 m-85 -78.67 -24.4 45.15 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.618 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.8 -34.51 0.3 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.75 0.82 . . . . 0.0 112.842 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 79' ' ' TYR . 38.9 m-80 -100.79 141.27 33.91 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.639 0.257 . . . . 0.0 110.745 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -66.09 -35.49 80.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.337 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 m -58.13 -45.95 86.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.138 0.494 . . . . 0.0 110.213 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.456 ' OG ' ' HB3' ' A' ' 79' ' ' TYR . 4.1 p -74.66 -32.05 62.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.561 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -59.74 -49.34 78.1 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.641 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.6 tp -70.44 -27.05 63.95 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.6 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.641 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 93.4 mtt180 -76.3 -14.15 60.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.609 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.445 ' O ' ' HB3' ' A' ' 103' ' ' CYS . . . -75.4 -13.3 60.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.011 0.434 . . . . 0.0 111.302 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.89 -4.28 27.25 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 123.377 0.671 . . . . 0.0 112.748 -176.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' A' ' 87' ' ' ARG . 31.2 mmm180 -47.65 89.66 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -176.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -158.84 88.72 0.91 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.773 0.797 . . . . 0.0 109.312 174.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -136.36 30.69 2.93 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.99 38.37 2.52 Favored Glycine 0 N--CA 1.434 -1.441 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -174.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.72 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 4.1 m -84.07 81.24 8.88 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-O 121.126 0.489 . . . . 0.0 111.633 -175.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 100' ' ' ALA . 3.2 mm -85.49 116.7 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.547 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -128.87 127.51 41.98 Favored 'General case' 0 N--CA 1.432 -1.352 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 16.1 t 64.32 13.92 8.36 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.032 0.444 . . . . 0.0 111.131 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.24 -17.4 16.86 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.858 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.44 153.66 51.8 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 117.74 0.77 . . . . 0.0 112.533 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.72 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -82.42 140.85 33.2 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.495 -179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 38.0 pt -102.92 126.15 57.2 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.61 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -116.11 131.98 9.92 Favored Glycine 0 N--CA 1.437 -1.253 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.358 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.643 ' SG ' HG21 ' A' ' 15' ' ' VAL . 48.1 t -131.06 134.4 46.6 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 120.952 0.406 . . . . 0.0 110.751 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.0 m -137.72 166.65 24.76 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.098 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.12 150.78 85.37 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.199 1.933 . . . . 0.0 110.818 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -54.45 110.66 0.66 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.286 0.565 . . . . 0.0 111.455 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.458 ' O ' HG12 ' A' ' 111' ' ' ILE . 71.7 mmtt -110.94 125.93 54.21 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.362 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -64.47 -41.03 96.73 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.262 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.84 -39.33 93.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.171 0.51 . . . . 0.0 109.914 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.21 -41.69 98.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.607 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 107' ' ' LYS . 36.7 mm -62.28 -43.34 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.234 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.4 m -59.93 -44.02 94.59 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.171 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -62.57 -45.78 91.36 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.098 0.475 . . . . 0.0 110.815 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.492 HD11 ' CG ' ' A' ' 74' ' ' TRP . 96.9 mt -64.85 -40.67 95.52 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.841 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.28 179.783 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 121.29 0.567 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.89 141.74 51.18 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.229 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.417 HG11 ' CE1' ' A' ' 85' ' ' TYR . 29.7 m -118.54 156.54 20.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-O 121.028 0.442 . . . . 0.0 110.951 -178.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.6 t -106.59 119.85 56.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.469 HG23 ' SG ' ' A' ' 103' ' ' CYS . 57.2 t -100.34 121.47 51.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -141.88 164.84 29.11 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.982 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.17 -17.62 7.98 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.136 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -96.01 171.9 8.34 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 110.537 -0.171 . . . . 0.0 110.537 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -90.0 -83.14 0.25 Allowed 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -178.32 -42.25 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.132 0.491 . . . . 0.0 110.115 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.08 24.51 3.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -176.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 pp -109.62 8.36 8.96 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.341 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 m -57.97 -46.03 85.8 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.252 -174.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.473 ' HE2' ' OD2' ' A' ' 39' ' ' ASP . 70.5 mmtt -48.97 -36.53 17.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 122.715 0.406 . . . . 0.0 111.611 -177.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.5 -60.98 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.6 tt -66.53 -29.09 45.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -174.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.3 tp -60.91 -43.52 98.45 Favored 'General case' 0 C--O 1.21 -0.99 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -176.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.15 -22.83 43.04 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -86.98 -48.05 8.44 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -92.1 -8.63 45.2 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -175.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.97 -14.41 60.14 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 120.813 0.34 . . . . 0.0 111.281 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.22 -25.32 65.15 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.174 0.511 . . . . 0.0 110.001 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -109.88 -44.24 3.85 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.379 -176.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -158.65 -162.3 11.78 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 119.826 -1.178 . . . . 0.0 113.532 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.402 ' CD ' HH21 ' A' ' 68' ' ' ARG . 0.0 OUTLIER -111.23 136.71 49.93 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.931 0.492 . . . . 0.0 111.588 -178.255 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.443 HG21 HD13 ' A' ' 37' ' ' LEU . 59.2 mt -132.56 132.24 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.443 HD13 HG21 ' A' ' 36' ' ' ILE . 1.5 mp 69.14 -178.93 0.22 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.194 0.597 . . . . 0.0 111.37 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -103.55 -41.43 5.98 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.473 ' OD2' ' HE2' ' A' ' 24' ' ' LYS . 38.9 t70 -78.53 96.44 5.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.079 0.466 . . . . 0.0 110.165 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.8 mt . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.25 -174.347 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.235 0.338 0 CA-C-O 121.762 0.791 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.639 ' NH1' ' HB ' ' A' ' 78' ' ' THR . 39.3 ttm-85 -123.9 154.82 39.17 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.957 -1.019 . . . . 0.0 108.776 -177.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -75.05 139.77 43.07 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.082 0.468 . . . . 0.0 111.248 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -157.02 159.71 38.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.858 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.68 -79.94 1.49 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 109.799 -1.321 . . . . 0.0 109.799 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -174.57 -43.32 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 123.131 0.572 . . . . 0.0 110.249 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.1 p -96.44 -5.72 38.99 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.135 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -147.05 145.99 29.85 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.085 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 t -143.85 147.44 34.07 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 173.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -85.84 122.52 30.03 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.052 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.96 114.62 27.34 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.27 0.557 . . . . 0.0 111.258 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.639 ' HB ' ' NH1' ' A' ' 68' ' ' ARG . 19.0 m -111.86 96.24 5.95 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.696 178.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -89.73 -15.14 33.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.28 -45.71 0.62 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.723 0.809 . . . . 0.0 111.976 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -79.65 137.96 37.24 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 121.053 0.454 . . . . 0.0 110.677 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.454 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 67.0 t60 -66.85 -37.84 85.22 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.538 -178.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.598 ' O ' ' HG2' ' A' ' 87' ' ' ARG . 4.1 p -60.88 -48.17 83.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.465 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.9 p -68.74 -29.08 67.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.055 0.455 . . . . 0.0 110.969 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.454 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 63.9 t80 -59.79 -49.52 77.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.599 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.3 tp -67.12 -34.14 76.97 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.237 -177.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 83' ' ' SER . 39.0 mmt180 -65.88 -17.21 64.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.767 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.19 -12.22 30.82 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.9 tp -60.15 -49.12 78.89 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 111.633 0.234 . . . . 0.0 111.633 -175.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 46.26 34.55 2.24 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 176.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -91.83 61.99 4.26 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.182 0.515 . . . . 0.0 110.129 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -168.08 91.6 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 50.57 36.31 31.27 Favored Glycine 0 N--CA 1.465 0.607 0 CA-C-N 116.051 -0.522 . . . . 0.0 113.782 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 30.9 m -96.63 85.19 3.8 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.265 0.555 . . . . 0.0 110.517 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.507 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 82.5 mt -99.83 120.93 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.429 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -116.35 122.98 46.47 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.9 t 70.37 -52.79 0.65 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.85 0.86 . . . . 0.0 112.438 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -160.45 -25.24 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.196 -1.002 . . . . 0.0 113.566 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.75 155.89 49.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.317 0.559 . . . . 0.0 111.328 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.507 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -73.47 141.28 46.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.171 177.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 38.5 pt -89.36 129.19 40.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 CA-C-O 121.042 0.449 . . . . 0.0 109.939 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.98 124.26 8.18 Favored Glycine 0 N--CA 1.436 -1.33 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.297 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.469 ' SG ' HG23 ' A' ' 15' ' ' VAL . 38.5 m -127.74 119.87 26.7 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 120.957 0.408 . . . . 0.0 110.273 178.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.4 m -133.27 158.48 75.62 Favored Pre-proline 0 C--N 1.315 -0.899 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -61.21 147.28 96.04 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.211 1.941 . . . . 0.0 110.724 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -56.51 123.33 14.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.15 0.5 . . . . 0.0 111.598 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -135.5 151.9 50.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.883 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -64.53 -48.2 75.96 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.283 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.569 ' O ' ' HG3' ' A' ' 113' ' ' GLU . 9.6 tp10 -66.73 -34.98 79.05 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.124 -178.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.527 ' O ' HD21 ' A' ' 114' ' ' LEU . 2.8 tm? -58.88 -47.79 83.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.882 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.2 mm -64.93 -43.15 96.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.277 0.56 . . . . 0.0 110.344 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.7 m -61.41 -40.74 95.51 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.595 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.569 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 68.4 mt-10 -66.72 -42.91 85.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 111.312 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.527 HD21 ' O ' ' A' ' 110' ' ' LEU . 2.8 mm? -64.57 -38.56 91.42 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.991 0.424 . . . . 0.0 111.578 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.2 p . . . . . 0 C--N 1.321 -0.651 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 -176.801 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.3 m120 . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 121.009 0.433 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.52 140.15 34.71 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.782 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.1 m -133.58 164.5 34.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.949 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.2 t -118.29 128.38 75.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.54 HG21 ' SG ' ' A' ' 103' ' ' CYS . 8.3 t -109.18 135.1 49.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -145.52 157.82 43.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.892 0.377 . . . . 0.0 111.79 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.89 35.47 2.19 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.69 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.409 ' HB2' HD12 ' A' ' 22' ' ' ILE . 31.9 p90 -151.64 168.05 26.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.871 0.336 . . . . 0.0 111.372 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -133.92 167.8 19.93 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.989 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.98 93.29 1.36 Allowed 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 178.79 -33.38 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.784 0.802 . . . . 0.0 109.489 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.418 HD11 ' C ' ' A' ' 22' ' ' ILE . 2.9 pp -99.27 16.95 3.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.525 -177.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.6 m -58.74 -48.46 81.11 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -173.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -61.26 -37.15 82.07 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.412 -176.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.08 -54.23 28.33 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.05 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.508 HG22 ' CD1' ' A' ' 30' ' ' PHE . 8.4 mt -64.69 -39.93 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.604 0.24 . . . . 0.0 111.338 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.547 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 1.2 tm? -57.89 -41.42 82.51 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.897 177.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.96 -29.07 69.43 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.403 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 85.2 t80 -93.72 -47.35 6.82 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.508 ' CD1' HG22 ' A' ' 26' ' ' ILE . 60.3 m-85 -84.62 -6.55 59.37 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -174.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -59.99 -6.79 1.46 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -64.43 -28.96 70.03 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.981 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.24 -69.37 0.44 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -98.89 177.17 30.16 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 115.811 1.084 . . . . 0.0 115.811 -171.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -108.67 130.59 55.34 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.033 0.933 . . . . 0.0 109.345 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.532 HG13 HD21 ' A' ' 77' ' ' LEU . 2.8 mp -131.33 137.63 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.371 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mp 64.59 -167.48 0.22 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.368 0.667 . . . . 0.0 111.588 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -123.06 -11.48 8.05 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -175.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -90.02 82.84 6.08 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.263 0.554 . . . . 0.0 110.949 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.59 -178.562 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m . . . . . 0 N--CA 1.443 -0.815 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.447 ' HD3' ' HB3' ' A' ' 76' ' ' LYS . 47.5 ttt85 -85.9 136.46 33.28 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.397 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.07 152.72 38.59 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.927 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -113.63 152.14 30.79 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.586 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.08 -63.98 1.76 Allowed Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.724 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 -161.62 -54.4 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.3 p -126.26 20.37 7.46 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 63.5 p-90 -136.26 147.66 47.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.013 0.435 . . . . 0.0 111.78 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.6 m -136.6 135.32 38.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.542 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HB3' ' HD3' ' A' ' 68' ' ' ARG . 86.4 tttt -90.91 122.52 33.67 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.532 HD21 HG13 ' A' ' 36' ' ' ILE . 68.3 mt -105.57 108.06 19.38 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 121.055 0.455 . . . . 0.0 110.641 177.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.0 m -100.18 95.73 7.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.452 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 89.0 m-85 -76.99 -31.61 56.63 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.586 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.66 10.51 7.11 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.634 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.452 ' ND2' ' HB3' ' A' ' 79' ' ' TYR . 9.3 p30 -136.55 147.92 47.3 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -78.69 -23.27 45.72 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.554 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.8 m -59.33 -60.69 3.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.719 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.1 p -73.92 -16.48 61.1 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -59.54 -48.33 82.06 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 120.782 0.325 . . . . 0.0 110.458 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.87 -37.7 88.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.136 0.493 . . . . 0.0 111.155 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -66.71 -23.71 66.15 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.522 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.579 ' O ' ' HB3' ' A' ' 103' ' ' CYS . . . -78.68 -14.61 59.21 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.6 mp -75.49 -3.53 34.52 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.8 ptp85 -43.01 120.27 1.75 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.434 0.635 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.06 85.01 0.59 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -150.25 24.31 0.82 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.746 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.32 38.95 4.37 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.845 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 35.1 m -75.32 94.98 3.11 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 97.4 mt -82.91 121.52 36.08 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.593 -178.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -134.71 128.82 33.72 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 70.7 m 64.57 14.35 8.9 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 121.081 0.467 . . . . 0.0 111.097 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.5 -15.41 42.08 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 121.09 -0.576 . . . . 0.0 113.857 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.79 151.27 43.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.589 0.695 . . . . 0.0 111.332 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -81.66 110.04 16.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.851 0.358 . . . . 0.0 110.71 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 47.7 pt -85.47 164.38 2.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.105 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -150.09 156.35 26.69 Favored Glycine 0 N--CA 1.44 -1.052 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.31 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.579 ' HB3' ' O ' ' A' ' 88' ' ' ALA . 42.7 t -142.67 136.91 29.53 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.1 m -129.63 165.98 29.15 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.585 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.91 150.05 85.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.644 2.229 . . . . 0.0 111.235 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -61.89 126.39 27.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.432 0.634 . . . . 0.0 112.109 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -127.59 125.87 41.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.146 -0.933 . . . . 0.0 109.019 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -65.16 -36.04 82.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.165 0.507 . . . . 0.0 110.14 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -69.39 -35.53 75.88 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.146 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 62.2 tp -63.36 -42.51 98.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.751 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 47.6 mm -61.52 -46.71 96.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.058 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.5 p -63.6 -43.45 96.88 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.35 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -65.43 -40.34 93.21 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.773 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 86.7 mt -62.41 -42.65 99.59 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 120.918 0.389 . . . . 0.0 110.747 178.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 CA--C 1.535 0.388 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.787 178.601 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 . . . . . 0 C--O 1.24 0.586 0 CA-C-O 120.795 0.331 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.78 144.58 36.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.07 0.462 . . . . 0.0 111.325 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.9 m -126.64 160.65 34.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.95 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -112.15 124.19 68.63 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.9 t -117.65 129.74 73.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -142.66 155.12 44.88 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -176.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.37 20.14 4.82 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.688 -0.687 . . . . 0.0 113.098 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.497 ' HB2' ' CD1' ' A' ' 22' ' ' ILE . 42.6 p90 -143.32 165.04 28.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.151 0.475 . . . . 0.0 112.001 -178.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.518 ' O ' HG12 ' A' ' 22' ' ' ILE . 46.6 ttp180 -107.31 151.35 25.6 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.761 -175.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.526 ' O ' HD12 ' A' ' 37' ' ' LEU . 10.0 tp10 -54.27 -32.64 56.71 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.855 0.862 . . . . 0.0 113.051 -175.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.74 -11.83 60.07 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.518 HG12 ' O ' ' A' ' 19' ' ' ARG . 5.2 pt -86.5 23.92 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -174.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.548 HG21 ' O ' ' A' ' 39' ' ' ASP . 13.1 m -59.15 -44.04 92.07 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.759 0.314 . . . . 0.0 111.45 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' A' ' 24' ' ' LYS . 3.5 mppt? -61.84 -21.85 65.01 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.914 0.387 . . . . 0.0 111.34 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -93.02 -67.44 0.86 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.164 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 mm -64.28 -43.91 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.528 ' HB3' ' O ' ' A' ' 23' ' ' THR . 8.3 tt -60.04 -29.73 68.71 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.76 99.44 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 120.784 0.326 . . . . 0.0 111.553 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -89.24 -44.53 10.2 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.876 0.37 . . . . 0.0 111.713 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.534 ' HD2' ' CE1' ' A' ' 33' ' ' PHE . 22.1 m-85 -77.63 -0.88 28.26 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.221 1.008 . . . . 0.0 113.542 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 27' ' ' LEU . . . -42.11 -13.01 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -61.34 -39.5 90.81 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CE1' ' HD2' ' A' ' 30' ' ' PHE . 69.8 m-85 -65.74 -36.9 84.88 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.943 177.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.26 -118.35 5.0 Favored Glycine 0 N--CA 1.429 -1.8 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.408 -176.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -90.28 98.31 11.7 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.919 0.39 . . . . 0.0 110.771 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.8 mm -67.61 -44.33 86.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.832 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 20' ' ' GLU . 71.3 mt -128.03 161.62 28.75 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.654 -174.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -81.73 -19.6 41.1 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.545 0.688 . . . . 0.0 110.068 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.548 ' O ' HG21 ' A' ' 23' ' ' THR . 12.4 t70 -69.52 143.69 53.37 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 C--N 1.317 -0.815 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.784 -177.819 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 121.394 0.616 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -99.89 140.07 34.64 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.46 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -75.27 145.27 42.01 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.976 0.417 . . . . 0.0 111.575 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -150.94 162.57 40.55 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.918 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -116.29 -150.64 9.51 Favored Glycine 0 N--CA 1.437 -1.283 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.085 -177.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -62.73 -49.42 75.13 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.0 p -135.45 12.42 3.5 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.787 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -129.69 142.3 50.75 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.965 -178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.455 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 89.4 m -133.27 133.15 42.25 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -95.57 105.04 16.97 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.5 mt -100.74 127.35 47.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.593 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.1 m -113.14 121.68 45.26 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.728 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -87.01 -28.37 22.67 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 117.009 -0.087 . . . . 0.0 111.232 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 80.9 -1.31 1.81 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.844 0.858 . . . . 0.0 111.76 -177.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -128.76 138.05 51.89 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 120.661 0.267 . . . . 0.0 110.56 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.444 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 16.1 t60 -67.22 -37.41 83.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.029 -178.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m -61.06 -44.81 96.82 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.103 0.478 . . . . 0.0 109.864 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -67.7 -33.87 75.77 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.257 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.444 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 30.9 t80 -57.88 -48.19 80.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.168 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.4 tp -66.29 -31.93 73.03 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-O 121.086 0.469 . . . . 0.0 111.345 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -79.8 -9.83 59.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.177 0.513 . . . . 0.0 111.265 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.422 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -91.19 -10.21 42.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.597 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.2 tp -58.43 -43.68 88.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.462 -174.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 47.44 -137.45 0.79 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.819 0.448 . . . . 0.0 111.886 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 62.18 26.85 16.14 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.94 0.896 . . . . 0.0 111.729 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -112.4 80.78 1.38 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.993 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 67.38 29.89 74.69 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.679 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.4 m -85.49 89.11 7.61 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.131 0.491 . . . . 0.0 110.953 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.9 mt -108.19 128.11 63.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.137 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -132.4 133.22 43.65 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.367 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.0 t 63.44 13.55 7.23 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.004 0.521 . . . . 0.0 111.63 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.15 10.07 55.01 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.307 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.76 148.41 47.23 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.989 0.394 . . . . 0.0 110.722 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.46 125.85 35.71 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.174 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 49.5 pt -91.86 145.85 7.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.028 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.33 129.46 9.9 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.183 -1.008 . . . . 0.0 112.023 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 56.2 m -130.86 111.8 12.43 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.5 m -139.75 164.81 35.51 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.683 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.53 157.49 61.62 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.36 2.04 . . . . 0.0 110.17 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.413 ' CE2' HG12 ' A' ' 111' ' ' ILE . 52.5 t80 -59.76 117.01 4.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.901 0.381 . . . . 0.0 111.044 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.45 ' O ' HD12 ' A' ' 111' ' ' ILE . 2.1 mptm? -116.05 135.72 53.69 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 174.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -64.09 -40.5 96.36 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.129 0.49 . . . . 0.0 110.463 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.53 -39.98 92.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.286 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.453 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 59.5 tp -61.93 -46.86 87.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 110.658 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 107' ' ' LYS . 1.7 mp -62.87 -40.73 89.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.542 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 t -58.56 -47.54 83.87 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.068 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.88 -39.76 87.61 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.141 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 92.6 mt -62.64 -38.92 92.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.999 0.428 . . . . 0.0 110.765 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.3 t . . . . . 0 N--CA 1.444 -0.757 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.908 176.614 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 . . . . . 0 C--O 1.234 0.259 0 CA-C-O 121.086 0.469 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.25 144.2 27.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.211 177.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -132.87 160.36 42.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.882 0.372 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.4 t -106.15 117.76 52.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.531 ' HA ' ' O ' ' A' ' 102' ' ' GLY . 21.5 t -109.56 130.45 62.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -141.81 167.83 21.21 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.36 -7.95 12.36 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -128.35 167.96 16.22 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.637 0.256 . . . . 0.0 110.662 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.406 ' O ' HG13 ' A' ' 22' ' ' ILE . 33.2 ptt-85 -120.86 158.56 27.35 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.526 -177.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -73.31 84.3 1.42 Allowed 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.05 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.418 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 19' ' ' ARG . 2.8 pp -89.79 27.35 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.524 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.9 m -43.6 -69.3 0.14 Allowed 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 124.404 1.082 . . . . 0.0 112.899 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -61.48 -34.03 74.79 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -175.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -58.41 -68.66 0.23 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.998 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.6 tt -70.56 -27.1 29.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.784 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.436 ' HG ' ' HB2' ' A' ' 31' ' ' ALA . 40.5 tp -61.28 -37.43 83.13 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -178.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.14 -28.01 16.4 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -93.99 -47.52 6.67 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.444 ' CB ' HD13 ' A' ' 36' ' ' ILE . 69.2 m-85 -87.31 -8.5 56.64 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -173.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.436 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . . . -60.39 -25.79 66.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.617 0.246 . . . . 0.0 111.113 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -63.01 -31.86 73.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.993 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -88.95 -44.21 10.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.478 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.57 -178.71 42.46 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.093 -1.051 . . . . 0.0 113.243 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -75.19 150.77 38.59 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 122.944 0.498 . . . . 0.0 110.22 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.444 HD13 ' CB ' ' A' ' 30' ' ' PHE . 61.0 mt -120.67 -83.51 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -174.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 mt -67.17 -75.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.347 -173.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -175.89 39.83 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -59.57 136.64 58.04 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.024 -1.444 . . . . 0.0 112.965 -175.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.429 ' H ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.675 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.2 -178.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.58 ' NH1' HG22 ' A' ' 75' ' ' THR . 1.9 ttp-105 -95.14 143.47 26.55 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.996 177.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.435 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 42.2 tt0 -86.42 149.72 24.81 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -146.24 132.5 19.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.336 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.15 -51.21 0.95 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.492 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -122.65 -143.1 0.33 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.798 0.333 . . . . 0.0 110.371 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 p -77.79 36.02 0.21 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -128.56 136.62 50.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.06 0.457 . . . . 0.0 111.506 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.58 HG22 ' NH1' ' A' ' 68' ' ' ARG . 96.6 m -136.56 120.92 18.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.819 178.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.423 ' O ' ' HD3' ' A' ' 68' ' ' ARG . 40.0 ttpt -86.48 117.22 25.13 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 tt -106.78 123.79 48.66 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -177.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.4 m -95.4 96.34 9.05 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.411 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.537 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 70.3 m-85 -70.21 -42.39 72.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.799 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.67 -44.72 0.59 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.502 0.721 . . . . 0.0 111.517 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.612 ' ND2' ' HB2' ' A' ' 84' ' ' SER . 0.2 OUTLIER -74.27 126.6 31.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.075 0.464 . . . . 0.0 110.747 176.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.433 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 49.6 t-80 -66.73 -39.21 87.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.13 -176.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.5 t -60.03 -44.5 94.58 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 120.7 0.286 . . . . 0.0 111.46 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.612 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 21.3 m -78.47 -17.4 56.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.619 0.247 . . . . 0.0 110.876 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 82.2 t80 -61.18 -47.17 87.4 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.25 -39.32 92.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.267 0.556 . . . . 0.0 110.634 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -59.96 -29.74 68.62 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.868 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.24 -13.53 60.79 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.68 -2.7 37.37 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -62.27 36.17 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.355 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -81.49 75.6 8.44 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -137.07 -70.51 0.45 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.208 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -122.47 29.01 5.59 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.835 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.2 m -92.69 93.87 8.71 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.161 0.505 . . . . 0.0 110.913 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.6 mt -113.37 127.17 70.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.104 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -132.01 135.84 46.82 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 30.7 t 64.17 16.88 10.34 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.313 0.578 . . . . 0.0 110.99 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.27 6.86 64.29 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.365 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.71 146.27 52.15 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.811 0.305 . . . . 0.0 110.931 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.5 124.82 33.86 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.8 pt -84.99 132.45 31.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 121.102 0.477 . . . . 0.0 110.498 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.531 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -99.44 146.0 17.79 Favored Glycine 0 N--CA 1.441 -1.032 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.848 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 65.5 m -143.33 111.57 6.21 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.905 0.383 . . . . 0.0 110.329 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.9 m -119.63 153.63 54.35 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.495 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.3 45.92 1.49 Allowed 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.242 2.628 . . . . 0.0 112.697 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 63.9 t80 58.7 111.72 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.202 1.001 . . . . 0.0 112.579 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.425 ' O ' HG12 ' A' ' 111' ' ' ILE . 99.6 mttt -123.87 129.91 51.75 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.849 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -65.07 -33.73 76.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.286 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -66.18 -38.97 89.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.328 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 57.2 tp -61.82 -42.01 98.49 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.869 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 107' ' ' LYS . 44.3 mm -62.45 -43.04 97.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.942 179.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.4 m -61.57 -44.99 96.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -64.96 -42.66 94.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.777 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 94.9 mt -63.48 -43.36 97.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.908 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.2 p . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.301 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 121.402 0.62 . . . . 0.0 109.525 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.32 140.34 30.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.314 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -125.57 159.25 33.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -114.98 124.32 71.53 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.3 t -110.99 125.11 68.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -134.73 165.92 24.15 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 120.804 0.335 . . . . 0.0 111.548 -177.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.97 -6.56 10.25 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.181 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -132.11 -176.84 4.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.958 0.409 . . . . 0.0 111.145 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.88 163.82 30.5 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.658 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -74.28 89.81 2.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.35 0.595 . . . . 0.0 109.811 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.07 -32.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.269 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 pp -86.66 19.91 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.721 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' ' HB3' ' A' ' 27' ' ' LEU . 22.0 m -51.49 -49.42 61.89 Favored 'General case' 0 C--O 1.206 -1.213 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -56.77 -35.43 68.65 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -175.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -75.95 -68.73 0.55 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.2 mt -64.87 -30.0 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -175.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 44.7 tp -59.86 -44.47 94.12 Favored 'General case' 0 C--O 1.205 -1.248 0 C-N-CA 121.249 -0.18 . . . . 0.0 110.692 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.69 84.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.943 0.401 . . . . 0.0 110.843 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -63.46 -48.21 78.62 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.08 -178.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -94.2 -7.92 40.83 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.682 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -65.18 -4.26 4.84 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.043 0.449 . . . . 0.0 111.523 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -58.86 -35.7 73.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.085 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -135.47 9.62 3.42 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.429 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.682 ' O ' ' HA ' ' A' ' 31' ' ' ALA . . . -172.84 -162.32 24.75 Favored Glycine 0 C--O 1.224 -0.501 0 C-N-CA 119.957 -1.116 . . . . 0.0 112.861 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -142.82 147.06 34.83 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.1 mt -138.02 153.46 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.699 0.285 . . . . 0.0 111.324 -176.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 mp 68.76 -176.1 0.2 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.626 0.77 . . . . 0.0 111.737 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -118.77 32.47 6.12 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' HG21 ' A' ' 23' ' ' THR . 22.6 t70 -143.56 141.67 30.78 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--N 1.317 -0.809 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.454 -177.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 CA--C 1.539 0.552 0 CA-C-O 121.121 0.486 . . . . 0.0 111.763 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -125.87 153.55 43.99 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.185 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -74.74 139.57 43.49 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.286 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.3 p-80 -144.34 164.85 29.58 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.304 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.06 -138.14 8.19 Favored Glycine 0 N--CA 1.438 -1.224 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -101.51 -46.45 4.98 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 120.907 0.384 . . . . 0.0 111.302 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 p -112.13 2.85 16.92 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.611 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -138.33 145.77 41.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.843 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.0 m -127.82 126.79 42.33 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.444 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -97.49 108.83 21.63 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 pp -126.77 140.18 52.57 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.433 0.635 . . . . 0.0 112.061 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 80' ' ' ALA . 33.2 m -112.43 125.38 54.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.341 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -87.98 -7.42 57.12 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.682 0.277 . . . . 0.0 110.804 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.422 ' H ' HG22 ' A' ' 78' ' ' THR . . . 65.03 14.88 9.66 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.203 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -145.55 163.92 33.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.187 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -93.9 -20.38 20.09 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 120.74 0.305 . . . . 0.0 110.986 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.4 m -60.64 -45.71 93.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.322 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.3 t -87.02 -16.49 35.52 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.644 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -60.38 -52.47 65.1 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.597 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.7 -40.26 72.99 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.074 0.464 . . . . 0.0 111.883 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -63.49 -38.39 90.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.675 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.94 -19.99 65.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.08 -5.12 24.63 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -51.5 127.66 20.72 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -126.23 -119.97 0.26 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.492 -0.776 . . . . 0.0 108.965 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 54.66 -96.47 0.06 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.381 0.672 . . . . 0.0 112.756 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.81 8.12 59.54 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.62 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.4 m -74.91 85.44 2.24 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.607 0.717 . . . . 0.0 109.787 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.7 mt -113.65 124.29 70.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.001 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -126.84 134.9 50.43 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.4 t 62.77 19.85 11.73 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.24 0.543 . . . . 0.0 110.832 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.28 14.2 64.49 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.114 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.87 146.87 38.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.969 0.385 . . . . 0.0 110.661 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.17 138.98 50.03 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 57.3 mt -84.49 128.28 39.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.77 99.6 2.09 Favored Glycine 0 N--CA 1.433 -1.513 0 C-N-CA 120.261 -0.971 . . . . 0.0 112.352 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 58.9 m -111.43 110.08 20.36 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.7 m -136.75 158.49 72.97 Favored Pre-proline 0 C--N 1.315 -0.916 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.024 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.85 152.93 76.17 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.358 2.039 . . . . 0.0 111.06 176.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -56.72 127.65 32.56 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.131 0.491 . . . . 0.0 111.612 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -133.63 137.96 45.68 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -67.92 -40.9 83.3 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.079 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 113' ' ' GLU . 43.2 tt0 -66.47 -35.27 79.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.759 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.85 -42.55 93.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.834 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.5 mm -61.43 -47.28 94.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.646 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.0 p -65.1 -39.33 92.98 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 60.8 mm-40 -63.14 -50.14 71.62 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 120.896 0.379 . . . . 0.0 110.978 -177.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.46 -37.21 86.75 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 56.6 m . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -178.155 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.2 m120 . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.488 0.661 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.19 145.16 38.99 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.764 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.2 m -118.42 155.21 20.51 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.54 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.8 t -115.2 126.76 72.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.3 t -115.13 132.24 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.117 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -141.38 164.96 28.82 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.007 -178.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.16 -10.06 9.47 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.86 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -121.03 -173.27 2.57 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.478 0.18 . . . . 0.0 111.069 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.69 ' O ' HG13 ' A' ' 22' ' ' ILE . 43.0 ttp180 -137.34 169.32 17.98 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.33 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.68 -29.34 66.54 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.122 0.569 . . . . 0.0 112.385 -177.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.41 -14.0 61.52 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.69 HG13 ' O ' ' A' ' 19' ' ' ARG . 2.6 pp -107.33 13.82 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.544 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 92.7 m -50.64 -46.31 58.27 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -176.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -54.07 -36.29 62.98 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 123.381 0.426 . . . . 0.0 111.669 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -71.5 -57.18 4.66 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.3 mm -68.03 -22.43 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 121.572 0.701 . . . . 0.0 110.644 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 23' ' ' THR . 34.2 tp -60.33 -41.73 94.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.675 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.55 78.6 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -92.41 -72.36 0.6 Allowed 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -69.35 -37.68 77.76 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.52 ' CB ' HD13 ' A' ' 27' ' ' LEU . . . -79.68 -3.74 48.66 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -59.87 -30.84 69.26 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.239 0.543 . . . . 0.0 109.979 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -116.48 7.25 13.71 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.175 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.79 -138.87 2.5 Favored Glycine 0 C--O 1.224 -0.478 0 C-N-CA 119.639 -1.267 . . . . 0.0 113.91 -176.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -143.43 142.66 31.3 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.489 HG12 ' HB3' ' A' ' 31' ' ' ALA . 8.7 mm -123.44 -80.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.392 -178.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mp -114.61 -175.65 2.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.985 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -95.22 -177.49 4.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.899 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.2 t70 70.38 83.36 0.15 Allowed 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.719 0.771 . . . . 0.0 109.402 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--N 1.318 -0.768 0 CA-C-N 115.326 -0.852 . . . . 0.0 113.27 -171.623 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.416 ' HB3' ' HE3' ' A' ' 76' ' ' LYS . 43.0 mtm-85 -126.1 155.67 41.24 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.944 -178.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -74.23 125.5 28.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.932 0.396 . . . . 0.0 110.142 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -123.1 166.99 14.25 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.985 -177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.26 -150.46 24.77 Favored Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -89.61 -55.95 3.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.973 0.416 . . . . 0.0 111.632 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 p -112.12 11.55 20.4 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.44 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -139.58 148.37 42.44 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.241 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 t -143.33 147.52 34.83 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' A' ' 68' ' ' ARG . 65.7 pttt -95.79 133.55 39.78 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.264 -0.575 . . . . 0.0 109.94 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.9 mt -104.9 116.25 31.67 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.278 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.8 m -110.68 111.48 22.7 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.443 ' HB3' ' OG ' ' A' ' 84' ' ' SER . 53.8 m-85 -101.06 -2.24 32.11 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -177.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 67.44 -55.47 0.47 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.546 0.738 . . . . 0.0 112.261 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -83.63 141.83 31.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.891 0.377 . . . . 0.0 110.454 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.401 ' HA ' ' HB3' ' A' ' 85' ' ' TYR . 48.9 t60 -66.85 -34.09 77.04 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.672 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.2 p -60.84 -46.92 88.65 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.499 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.443 ' OG ' ' HB3' ' A' ' 79' ' ' TYR . 8.3 p -74.44 -32.34 62.59 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 177.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.401 ' HB3' ' HA ' ' A' ' 82' ' ' HIS . 45.5 t80 -59.39 -48.05 83.12 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.624 178.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 89' ' ' LEU . 51.2 tp -63.28 -39.06 93.53 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-O 120.747 0.308 . . . . 0.0 111.534 -177.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 77.9 mtt85 -68.39 -18.24 64.41 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.66 -12.58 60.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.833 0.349 . . . . 0.0 111.025 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 4.0 mm? -70.29 -3.94 19.59 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.55 0.74 . . . . 0.0 112.898 -178.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 87' ' ' ARG . 44.2 mmt180 -31.37 100.03 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.006 0.922 . . . . 0.0 113.469 -179.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -165.24 78.3 0.3 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -128.42 37.46 4.13 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.62 23.42 50.44 Favored Glycine 0 N--CA 1.439 -1.107 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -175.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.494 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 25.0 m -65.29 106.13 1.28 Allowed 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.143 -0.529 . . . . 0.0 110.464 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.5 mt -93.09 120.63 42.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.157 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -142.54 135.27 28.14 Favored 'General case' 0 N--CA 1.438 -1.074 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 98.1 m 69.41 16.63 8.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.895 0.379 . . . . 0.0 111.511 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.33 -9.24 53.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.853 -0.689 . . . . 0.0 113.931 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -145.37 161.25 40.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.089 0.445 . . . . 0.0 110.696 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.494 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -74.98 132.17 41.18 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.154 177.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 41.5 pt -87.19 131.79 34.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.923 0.392 . . . . 0.0 110.456 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.66 124.4 8.22 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.67 -176.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 34.8 t -125.19 126.35 45.09 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.942 0.401 . . . . 0.0 110.814 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.7 m -141.66 158.12 63.59 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -61.22 152.5 71.62 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.452 2.101 . . . . 0.0 111.568 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -58.78 117.83 5.04 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.217 0.532 . . . . 0.0 111.102 -177.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.543 ' O ' HG12 ' A' ' 111' ' ' ILE . 98.1 mttt -131.0 139.08 49.93 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.089 177.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -60.43 -41.02 93.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.779 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -63.59 -42.2 98.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.955 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.506 ' O ' HD13 ' A' ' 114' ' ' LEU . 34.7 tp -61.14 -45.35 95.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.238 0.542 . . . . 0.0 110.019 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 107' ' ' LYS . 47.0 mm -62.75 -43.33 98.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.57 -179.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.3 m -61.04 -46.55 90.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.873 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.9 -47.2 75.58 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.132 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 110' ' ' LEU . 10.9 mp -64.32 -41.87 96.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 59.3 m . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.973 0.416 . . . . 0.0 111.317 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.0 p30 . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.52 130.51 37.06 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.787 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -126.06 160.1 33.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.6 t -112.64 118.03 56.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 102' ' ' GLY . 45.3 t -113.89 126.38 71.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -142.36 168.83 18.8 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.391 -177.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.58 -11.35 10.37 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.195 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -113.74 -172.38 2.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.438 0.161 . . . . 0.0 110.863 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.605 ' O ' HG13 ' A' ' 22' ' ' ILE . 23.0 ptt180 -135.72 173.67 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.896 0.379 . . . . 0.0 111.29 -176.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.5 -38.61 84.57 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.387 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.6 -14.06 48.02 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -174.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.605 HG13 ' O ' ' A' ' 19' ' ' ARG . 2.6 pp -97.29 27.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 122.108 -0.37 . . . . 0.0 111.46 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.626 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 30.6 m -44.26 -71.45 0.08 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 40' ' ' LEU . 3.6 mptp? -60.13 -29.48 68.66 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -176.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HB3' ' CE1' ' A' ' 96' ' ' TYR . 81.1 mt-30 -60.77 -71.36 0.14 Allowed 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -177.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.3 mt -68.89 -23.41 27.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 CA-C-O 120.92 0.39 . . . . 0.0 111.744 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.626 ' HB2' ' O ' ' A' ' 23' ' ' THR . 25.9 tp -58.81 -46.49 87.49 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.289 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.01 70.23 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.477 ' HD2' ' CD2' ' A' ' 30' ' ' PHE . 86.6 t80 -85.64 -48.27 9.04 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.477 ' CD2' ' HD2' ' A' ' 29' ' ' TYR . 24.0 m-85 -85.8 -3.85 59.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -177.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 27' ' ' LEU . . . -38.19 -29.32 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.732 1.213 . . . . 0.0 114.073 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -56.96 -30.18 63.85 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.084 0.468 . . . . 0.0 110.866 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.455 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 96.5 m-85 -88.85 -43.79 10.95 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.976 178.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.481 ' O ' HG12 ' A' ' 36' ' ' ILE . . . 114.42 -95.81 0.75 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.643 -0.789 . . . . 0.0 114.102 175.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.546 ' O ' HD21 ' A' ' 77' ' ' LEU . 9.4 pt-20 -59.69 114.61 2.84 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-O 120.845 0.355 . . . . 0.0 111.607 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 34' ' ' GLY . 37.2 mm -134.4 -63.47 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 121.308 0.575 . . . . 0.0 110.543 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.498 ' CD1' ' HA ' ' A' ' 23' ' ' THR . 71.3 mt -132.33 -167.03 1.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.079 -177.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -59.78 -42.72 93.98 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.501 0.501 . . . . 0.0 111.551 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.495 ' OD1' HD22 ' A' ' 27' ' ' LEU . 21.9 t70 71.78 171.79 0.31 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.623 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 40.8 tp . . . . . 0 N--CA 1.433 -1.314 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.586 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 CA--C 1.511 -0.536 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -80.93 152.87 27.84 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.209 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -74.28 125.73 29.08 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.84 -176.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -152.38 168.27 25.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.767 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.447 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -99.71 -78.82 1.4 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.193 -1.003 . . . . 0.0 112.147 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.9 ttp85 -169.8 -56.18 0.02 OUTLIER 'General case' 0 CA--C 1.495 -1.157 0 CA-C-O 121.603 0.716 . . . . 0.0 109.741 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.8 p -103.72 2.52 33.13 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.924 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.447 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 59.5 p-90 -142.11 144.18 33.39 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.414 -1.266 . . . . 0.0 108.891 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.5 m -126.29 126.85 44.65 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -84.96 108.25 17.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.546 HD21 ' O ' ' A' ' 35' ' ' GLU . 31.9 mt -92.77 116.57 29.14 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.064 -174.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.3 m -112.86 113.3 25.31 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.992 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -104.01 -15.52 15.58 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.08 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.06 6.07 5.43 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.233 0.613 . . . . 0.0 110.901 -176.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -127.32 142.89 51.33 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.723 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.494 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 69.6 t60 -87.78 -24.03 23.89 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.2 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.5 t -63.44 -41.49 98.66 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.061 0.457 . . . . 0.0 110.901 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.7 p -67.78 -20.05 65.16 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.574 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.494 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 57.9 t80 -60.0 -49.82 76.15 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.431 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.57 -41.32 88.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.109 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -63.75 -43.52 96.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.613 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.455 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -81.34 -12.87 58.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.79 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 85' ' ' TYR . 27.4 tp -67.15 -8.13 28.72 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.106 0.562 . . . . 0.0 112.222 -175.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 32.4 ptt-85 -72.72 87.89 1.28 Allowed 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -176.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -83.57 -35.66 24.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.45 0.643 . . . . 0.0 110.048 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -83.0 127.41 33.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.449 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.45 -4.66 66.97 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.822 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 m -109.78 87.57 2.54 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-O 121.249 0.547 . . . . 0.0 110.547 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.5 mt -112.39 118.84 58.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.937 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.433 ' CE1' ' HB3' ' A' ' 25' ' ' GLN . 12.6 t80 -126.46 134.32 50.99 Favored 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.8 t 62.13 25.46 15.25 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.222 0.534 . . . . 0.0 111.061 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.51 19.12 66.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.172 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -142.91 149.41 38.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.848 0.356 . . . . 0.0 111.084 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.44 126.41 41.61 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 46.1 pt -85.73 134.67 26.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-O 120.986 0.422 . . . . 0.0 110.22 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -99.21 110.96 4.11 Favored Glycine 0 N--CA 1.436 -1.332 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.51 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 35.6 m -104.88 101.38 10.97 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.7 m -124.61 157.92 63.84 Favored Pre-proline 0 C--N 1.311 -1.095 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.927 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -61.8 153.2 69.51 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 122.431 2.088 . . . . 0.0 111.086 177.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -61.78 98.7 0.1 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.222 0.534 . . . . 0.0 111.379 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.456 ' O ' HG12 ' A' ' 111' ' ' ILE . 68.2 mttm -97.98 129.55 44.86 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.472 177.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -65.8 -42.42 90.74 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -68.97 -35.22 76.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.649 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 52.0 tp -61.91 -39.8 93.28 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.858 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 107' ' ' LYS . 36.7 mm -61.56 -43.83 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.945 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.3 m -59.81 -41.28 90.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.928 0.394 . . . . 0.0 110.256 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -62.26 -44.77 95.78 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 4.0 pp -88.83 -13.99 38.02 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 -176.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--N 1.313 -1.0 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 N--CA 1.47 0.533 0 CA-C-O 121.077 0.465 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.3 143.98 30.91 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.648 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -120.36 156.81 23.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 120.876 0.37 . . . . 0.0 110.794 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.4 t -110.23 118.0 56.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.8 t -110.19 128.63 66.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -143.77 168.82 19.02 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.871 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.38 6.73 56.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.768 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.416 ' HB2' HD12 ' A' ' 22' ' ' ILE . 47.3 p90 -106.46 156.76 18.21 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.886 0.374 . . . . 0.0 110.264 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.8 ttm-85 -108.4 148.56 29.95 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.577 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -74.75 67.36 1.59 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.691 0.757 . . . . 0.0 110.226 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.5 -36.09 0.13 Allowed 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.126 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.416 HD12 ' HB2' ' A' ' 18' ' ' TYR . 2.4 pp -82.86 30.2 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.204 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.708 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 55.9 m -46.71 -76.68 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -174.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -18.45 61.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.947 0.403 . . . . 0.0 111.269 -176.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.476 ' HB3' ' OH ' ' A' ' 96' ' ' TYR . 22.5 mp0 -63.62 -48.55 76.88 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.457 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.5 tt -96.49 -14.79 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-O 121.156 0.503 . . . . 0.0 110.86 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.708 ' HB2' ' O ' ' A' ' 23' ' ' THR . 11.4 tp -61.58 -41.88 98.06 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.755 -177.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -12.74 60.43 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -94.78 -63.35 1.18 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.795 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -89.63 -35.78 15.65 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.841 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -65.57 -8.45 20.02 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -171.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -61.43 -25.52 67.26 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 120.653 0.263 . . . . 0.0 111.086 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -128.63 15.99 6.46 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.365 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA ' ' A' ' 31' ' ' ALA . . . 171.26 125.88 0.84 Allowed Glycine 0 C--O 1.22 -0.755 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.625 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -59.73 141.9 54.24 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.089 0.404 . . . . 0.0 112.089 -178.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.8 mm -110.58 -60.06 3.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.574 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.14 169.73 8.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.216 0.532 . . . . 0.0 111.796 -178.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.24 -22.63 33.05 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.807 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -82.76 145.68 29.41 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.594 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -178.567 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 CA--C 1.547 0.86 0 CA-C-O 121.156 0.503 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -136.4 157.03 47.77 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.21 153.21 39.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.642 0.258 . . . . 0.0 111.063 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 75' ' ' THR . 51.6 p-80 -156.61 -177.88 6.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.016 -177.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.96 -159.1 9.47 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -76.04 128.73 35.63 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.934 0.397 . . . . 0.0 111.032 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.0 p 57.9 10.03 1.04 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 55.6 p-90 -143.79 140.34 29.84 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 120.746 0.307 . . . . 0.0 110.672 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.44 ' HA ' ' HB2' ' A' ' 70' ' ' HIS . 12.0 t -142.5 147.75 36.54 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.015 0.436 . . . . 0.0 111.098 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -109.48 118.59 37.02 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -126.14 148.29 49.43 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.31 0.576 . . . . 0.0 111.817 -176.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.2 m -111.67 117.67 33.53 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -86.47 -16.93 35.56 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.359 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.44 -63.82 0.41 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.651 0.781 . . . . 0.0 111.243 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.61 136.19 43.9 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.159 0.504 . . . . 0.0 111.041 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 85' ' ' TYR . 47.0 p-80 -68.66 -27.64 66.18 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.148 -178.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 m -60.65 -47.22 87.2 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.038 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -72.64 -35.01 67.67 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.362 0.601 . . . . 0.0 110.244 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.427 ' HB3' ' HA ' ' A' ' 82' ' ' HIS . 59.4 t80 -60.42 -52.38 65.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.494 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.5 tp -63.67 -36.77 84.94 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 121.13 0.491 . . . . 0.0 111.022 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.92 -25.42 67.57 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.675 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.83 -11.66 59.56 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.198 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.99 -7.0 52.37 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -68.24 118.53 11.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.088 0.47 . . . . 0.0 110.938 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -141.87 4.42 1.68 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.201 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -64.82 -45.85 84.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -144.19 26.42 2.02 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 119.963 -1.113 . . . . 0.0 112.991 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.3 m -89.61 97.92 11.47 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.408 0.623 . . . . 0.0 110.506 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.419 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 78.1 mt -114.25 127.61 71.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.125 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.476 ' OH ' ' HB3' ' A' ' 25' ' ' GLN . 10.7 t80 -140.23 139.98 35.72 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.3 t 72.54 17.93 4.52 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.326 0.584 . . . . 0.0 110.59 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.1 0.06 66.14 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.516 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -145.43 153.09 40.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.975 0.387 . . . . 0.0 111.133 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -69.94 137.77 51.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.006 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.4 pt -90.12 138.24 19.84 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.132 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.65 119.11 6.36 Favored Glycine 0 N--CA 1.434 -1.461 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.438 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 49.7 t -130.74 117.76 19.88 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.9 m -140.89 158.65 64.64 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.774 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.44 149.47 90.75 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.223 1.949 . . . . 0.0 111.225 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -53.68 126.75 23.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.731 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.53 ' O ' HG12 ' A' ' 111' ' ' ILE . 68.2 mttm -129.79 127.1 39.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.622 177.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -61.09 -41.37 96.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.314 0.578 . . . . 0.0 110.197 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.77 -41.72 95.64 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.908 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.46 -42.05 99.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.52 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 107' ' ' LYS . 46.3 mm -61.97 -41.52 91.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.85 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.9 m -59.08 -43.41 91.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.293 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -65.62 -44.18 87.27 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.63 0.252 . . . . 0.0 110.735 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.31 -42.3 99.0 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.6 p . . . . . 0 N--CA 1.444 -0.737 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.641 -179.191 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.3 p30 . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.65 138.41 53.94 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 76' ' ' LYS . 27.7 m -124.06 156.64 31.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 120.985 0.421 . . . . 0.0 110.966 -178.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.445 HG21 ' HA ' ' A' ' 106' ' ' TYR . 59.6 t -111.87 111.55 36.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.283 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 176.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 102' ' ' GLY . 10.4 t -100.19 127.63 52.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -144.06 165.23 28.37 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.983 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.09 -11.2 10.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.357 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.435 ' HB2' HG12 ' A' ' 22' ' ' ILE . 23.8 p90 -107.54 163.21 13.26 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.499 0.19 . . . . 0.0 111.219 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -85.07 -86.59 0.13 Allowed 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -175.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -165.16 -65.91 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 111.093 -174.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.33 8.13 2.41 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.79 -177.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.435 HG12 ' HB2' ' A' ' 18' ' ' TYR . 2.9 pp -84.5 1.87 4.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.555 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.9 m -59.39 -45.89 90.22 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -51.85 -35.02 43.23 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.245 0.545 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.558 ' HB3' ' OH ' ' A' ' 96' ' ' TYR . 98.4 mt-30 -77.68 -62.18 1.75 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.991 -178.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.0 tt -66.77 -27.33 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -175.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.98 -33.41 74.26 Favored 'General case' 0 C--O 1.203 -1.345 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.223 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.7 -36.92 58.1 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -89.92 -45.94 8.88 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -83.38 -7.06 59.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -173.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.16 -25.73 61.85 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.553 0.216 . . . . 0.0 111.431 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -62.05 -33.45 74.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.152 0.501 . . . . 0.0 110.259 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -76.7 -48.62 18.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.772 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.66 -139.84 6.78 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 119.862 -1.161 . . . . 0.0 113.97 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -86.74 148.92 25.22 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.898 0.879 . . . . 0.0 111.692 -176.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.3 mt -137.35 -76.09 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 120.786 0.327 . . . . 0.0 111.544 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mp -98.37 169.63 9.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.364 0.602 . . . . 0.0 112.337 -177.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -69.77 -36.59 75.88 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.63 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.45 110.46 15.93 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.691 -178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--N 1.314 -0.946 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.406 -178.697 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -98.19 159.4 14.96 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.723 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -71.74 130.35 40.89 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.208 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.0 p-80 -123.91 144.8 49.55 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.115 0.483 . . . . 0.0 111.494 -177.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.0 -163.58 31.09 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.644 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -78.48 -54.03 6.59 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.2 p -114.11 8.83 17.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 121.258 0.552 . . . . 0.0 111.504 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -137.26 146.52 44.83 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.26 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.7 m -127.53 127.23 43.62 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.969 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 39.6 ttpt -91.01 116.77 29.06 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -112.56 129.1 56.48 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.8 m -110.6 111.09 22.08 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -88.78 -23.36 22.9 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.54 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.88 -61.72 0.44 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.747 0.819 . . . . 0.0 111.227 -178.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -75.74 130.91 39.41 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.083 0.468 . . . . 0.0 110.205 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -77.47 -13.55 59.89 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.413 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.7 m -59.1 -45.34 91.14 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.267 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -93.2 -14.46 27.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.07 0.462 . . . . 0.0 111.031 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -60.7 -47.52 85.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.668 -177.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.6 mp -63.33 -38.65 91.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -60.11 -43.59 95.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.357 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.72 -12.84 58.45 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.844 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.1 tp -67.06 -6.86 19.04 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.013 0.525 . . . . 0.0 112.398 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -66.36 105.97 1.59 Allowed 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.544 0.688 . . . . 0.0 112.186 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.07 7.42 18.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.662 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -123.47 142.85 50.59 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.953 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.02 32.37 83.96 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.333 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.5 m -135.96 91.93 2.75 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 121.237 0.541 . . . . 0.0 110.887 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.493 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 98.0 mt -113.47 125.74 70.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.939 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.558 ' OH ' ' HB3' ' A' ' 25' ' ' GLN . 42.2 t80 -136.92 140.81 42.56 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.293 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.6 t 70.42 -15.39 0.36 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.61 0.764 . . . . 0.0 112.388 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 96' ' ' TYR . . . 140.07 -18.97 2.91 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.687 179.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.04 155.7 45.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.707 0.289 . . . . 0.0 110.949 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.493 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -73.79 134.66 43.43 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.166 177.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.7 pt -91.59 120.42 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -99.36 111.94 4.34 Favored Glycine 0 N--CA 1.431 -1.693 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.169 -177.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 48.0 t -113.08 103.29 11.22 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.423 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 13.6 m -132.9 161.71 61.99 Favored Pre-proline 0 C--N 1.316 -0.871 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.306 -178.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 16.2 Cg_endo -58.8 151.83 61.49 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.218 1.945 . . . . 0.0 111.563 178.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.445 ' HA ' HG21 ' A' ' 14' ' ' VAL . 83.2 t80 -34.83 -67.26 0.15 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -174.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 63.24 124.56 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.718 0.77 . . . . 0.0 112.535 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -67.4 -44.26 79.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.815 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -69.37 -34.22 74.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.147 -178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.44 ' O ' HD11 ' A' ' 114' ' ' LEU . 46.0 tp -61.06 -41.69 97.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.818 -177.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.8 mm -61.65 -43.57 97.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.1 m -60.94 -40.82 94.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.07 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -64.05 -43.06 96.68 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.272 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.44 HD11 ' O ' ' A' ' 110' ' ' LEU . 10.8 mp -74.42 -9.77 58.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.004 0.43 . . . . 0.0 111.817 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 53.0 m . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.655 178.303 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 . . . . . 0 C--O 1.236 0.359 0 CA-C-O 120.88 0.371 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.91 131.88 34.2 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.087 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.96 162.43 37.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.564 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.4 t -116.25 119.58 62.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.394 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.5 HG22 ' SG ' ' A' ' 103' ' ' CYS . 21.3 t -104.88 128.36 58.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -136.69 165.9 24.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.202 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.81 -6.97 13.48 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.54 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.492 ' OH ' ' HB ' ' A' ' 75' ' ' THR . 32.1 p90 -115.1 175.49 5.48 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.043 0.449 . . . . 0.0 111.698 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -123.04 151.15 42.21 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.158 -177.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.431 ' HA ' HD22 ' A' ' 37' ' ' LEU . 40.3 tt0 -67.41 77.39 0.17 Allowed 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.193 176.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -175.07 -30.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.412 HD13 ' HB ' ' A' ' 26' ' ' ILE . 5.4 pt -87.12 34.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.561 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.398 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.481 HG23 ' HB2' ' A' ' 39' ' ' ASP . 6.4 m -59.48 -52.8 64.01 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -64.46 -34.98 79.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.852 0.358 . . . . 0.0 111.763 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -62.81 -68.87 0.3 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.091 -177.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.412 ' HB ' HD13 ' A' ' 22' ' ' ILE . 14.6 tt -69.87 -30.17 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.325 -174.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.4 tp -64.08 -32.66 74.3 Favored 'General case' 0 C--O 1.203 -1.382 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.201 -178.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.95 -28.33 36.63 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.804 0.335 . . . . 0.0 111.301 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -93.43 -45.23 7.88 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.963 0.411 . . . . 0.0 111.85 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -89.08 -7.44 55.82 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -173.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.34 -26.31 64.94 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -71.74 -17.29 62.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.178 0.513 . . . . 0.0 110.158 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -103.03 -42.32 5.83 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.981 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.57 179.31 46.84 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.39 -0.909 . . . . 0.0 113.0 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -93.46 134.61 35.53 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.084 0.554 . . . . 0.0 110.235 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.437 HG22 ' CD1' ' A' ' 37' ' ' LEU . 5.1 mt -125.84 130.49 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.286 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.437 ' CD1' HG22 ' A' ' 36' ' ' ILE . 10.6 mp 75.53 167.46 0.28 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.631 0.772 . . . . 0.0 112.309 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -89.3 1.68 55.41 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -172.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.481 ' HB2' HG23 ' A' ' 23' ' ' THR . 6.2 m-20 -65.09 -79.9 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 118.53 0.605 . . . . 0.0 111.695 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 N--CA 1.483 1.186 0 C-N-CA 123.728 0.811 . . . . 0.0 112.734 178.816 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -129.97 152.07 49.83 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HG2' ' HE2' ' A' ' 76' ' ' LYS . 22.5 pt-20 -82.79 136.02 34.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.986 0.422 . . . . 0.0 110.331 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.404 ' CB ' ' HA ' ' A' ' 75' ' ' THR . 45.0 p-80 -158.16 166.63 31.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.994 -178.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.33 -143.87 13.29 Favored Glycine 0 N--CA 1.436 -1.31 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 177.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -108.36 -14.59 14.65 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.036 -0.665 . . . . 0.0 110.491 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.6 p -126.84 -0.84 6.65 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.682 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 -142.64 145.04 33.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.306 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.492 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 87.8 m -137.94 134.12 34.57 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.297 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.431 ' HE2' ' HG2' ' A' ' 69' ' ' GLU . 39.1 ttpt -88.18 117.62 27.2 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.5 mt -107.64 123.73 48.92 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.222 0.534 . . . . 0.0 110.87 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.8 m -110.47 113.08 25.45 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -96.43 -9.19 30.4 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.154 -178.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 63.01 7.44 2.68 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.396 -178.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -130.47 140.54 50.53 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.795 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -87.07 -20.64 26.85 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.396 -178.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.2 t -62.49 -43.88 97.74 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.989 0.423 . . . . 0.0 111.154 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.0 p -84.39 -15.26 46.94 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.52 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 46.2 t80 -59.8 -50.59 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.16 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.49 -42.5 95.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.803 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -65.56 -37.27 86.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.084 0.469 . . . . 0.0 111.282 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.15 -13.22 62.1 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.102 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 85' ' ' TYR . 45.1 mt -74.99 -5.56 44.59 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -176.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.522 ' HD3' ' OG1' ' A' ' 94' ' ' THR . 14.9 ptp180 -53.32 128.17 27.32 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 120.989 0.423 . . . . 0.0 111.338 179.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 101' ' ' ILE . 14.8 pt-20 -146.21 13.01 1.24 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -110.97 -70.35 0.82 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.835 0.35 . . . . 0.0 111.652 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.9 57.62 1.09 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.685 -0.769 . . . . 0.0 113.052 -176.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.522 ' OG1' ' HD3' ' A' ' 90' ' ' ARG . 87.3 m -150.22 103.18 3.15 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.223 0.535 . . . . 0.0 110.372 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 95.5 mt -114.24 124.11 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.444 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -121.29 128.06 51.97 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.7 t 62.85 23.18 13.84 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 121.07 0.462 . . . . 0.0 111.189 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.25 10.97 73.38 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.91 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.29 138.49 50.5 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.48 137.55 44.55 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.328 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 91' ' ' GLU . 51.1 mt -87.12 126.0 40.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.26 121.15 5.2 Favored Glycine 0 N--CA 1.437 -1.286 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.925 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.5 ' SG ' HG22 ' A' ' 15' ' ' VAL . 49.5 t -132.64 128.4 36.99 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.07 165.57 33.81 Favored Pre-proline 0 C--N 1.316 -0.883 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.616 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -61.48 148.79 92.11 Favored 'Trans proline' 0 C--O 1.239 0.531 0 C-N-CA 122.163 1.909 . . . . 0.0 110.794 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.484 ' CE1' HD11 ' A' ' 111' ' ' ILE . 78.9 t80 -63.72 95.83 0.12 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.119 0.485 . . . . 0.0 110.943 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -97.37 138.22 35.16 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.613 177.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -67.33 -38.52 85.03 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.647 -177.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.86 -28.33 67.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.969 0.414 . . . . 0.0 110.682 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.55 -36.59 81.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.771 178.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.484 HD11 ' CE1' ' A' ' 106' ' ' TYR . 46.0 mm -61.3 -42.79 94.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.577 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.5 m -60.35 -41.16 93.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.348 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -62.24 -50.73 70.6 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.273 0.558 . . . . 0.0 110.332 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.14 -42.14 96.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.137 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.9 p . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.893 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.0 p30 . . . . . 0 C--O 1.237 0.399 0 CA-C-O 120.935 0.398 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.56 134.19 52.62 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.072 0.463 . . . . 0.0 111.758 -178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 m -116.4 156.3 17.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.902 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.23 112.26 39.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' ' 102' ' ' GLY . 22.3 t -113.72 132.75 61.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.43 ' HB3' ' HB3' ' A' ' 74' ' ' TRP . 32.3 p90 -142.73 165.31 27.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.656 -178.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.81 10.41 8.39 Favored Glycine 0 N--CA 1.459 0.182 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.539 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -139.93 167.35 22.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.751 0.31 . . . . 0.0 110.75 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -124.19 158.78 31.59 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -74.37 87.23 2.02 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -176.62 -29.88 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.755 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 pp -97.53 31.24 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.378 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.8 m -57.99 -48.61 79.49 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.251 -174.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.47 ' HE3' ' O ' ' A' ' 40' ' ' LEU . 11.0 mptt -61.66 -39.34 91.04 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.853 -173.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -65.98 -63.6 1.05 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.956 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 tt -67.79 -30.95 50.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -175.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.428 ' HG ' HD23 ' A' ' 40' ' ' LEU . 2.9 tm? -63.31 -41.83 98.97 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.965 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.42 -28.63 67.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -85.29 -48.13 9.37 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.956 0.407 . . . . 0.0 111.576 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -84.22 -7.47 59.34 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -175.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.95 -23.46 53.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.643 0.258 . . . . 0.0 111.524 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -58.44 -26.09 62.94 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.251 0.548 . . . . 0.0 109.54 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -107.69 -48.26 3.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.707 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.31 -167.32 36.01 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.785 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -94.42 158.28 15.63 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 mm -107.09 -77.55 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -175.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.43 -174.37 3.8 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -66.93 169.84 7.58 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -173.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 52.36 76.69 0.18 Allowed 'General case' 0 C--N 1.35 0.601 0 C-N-CA 124.915 1.286 . . . . 0.0 113.369 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' O ' ' HE3' ' A' ' 24' ' ' LYS . 6.1 mp . . . . . 0 C--N 1.317 -0.811 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 C--O 1.242 0.685 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.0 mmt-85 -120.62 149.0 43.16 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 120.91 0.386 . . . . 0.0 111.189 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.9 162.7 28.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.373 -177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -105.78 146.69 29.52 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.128 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.13 -92.55 2.03 Favored Glycine 0 N--CA 1.44 -1.087 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.238 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -128.09 -85.57 0.58 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.957 0.408 . . . . 0.0 110.591 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.2 p -114.84 21.97 13.89 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.608 0.718 . . . . 0.0 110.194 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.43 ' HB3' ' HB3' ' A' ' 16' ' ' PHE . 65.4 p-90 -134.61 148.01 50.33 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.169 -178.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 38.0 m -134.38 129.5 35.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.047 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -88.29 107.77 18.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.403 HD13 ' OH ' ' A' ' 79' ' ' TYR . 94.4 mt -92.85 118.59 31.28 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.276 0.56 . . . . 0.0 111.632 -175.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 87.8 m -112.37 114.19 26.79 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.865 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.403 ' OH ' HD13 ' A' ' 77' ' ' LEU . 98.0 m-85 -108.45 7.07 26.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.713 -178.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.36 -53.61 0.64 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.583 0.753 . . . . 0.0 112.501 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -81.99 144.95 30.53 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-O 120.977 0.418 . . . . 0.0 110.727 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.414 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 51.5 p-80 -74.4 -22.66 59.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.233 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.65 ' O ' ' HG2' ' A' ' 87' ' ' ARG . 11.1 m -62.05 -51.39 68.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.329 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -65.46 -33.47 76.02 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.227 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 19.8 t80 -57.28 -50.17 73.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.663 177.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.1 tp -67.51 -37.37 82.7 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.131 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 83' ' ' SER . 30.1 mmm180 -63.41 -37.21 86.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.586 -178.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.51 -12.94 60.11 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.906 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.9 tp -67.63 -7.49 26.99 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.228 0.611 . . . . 0.0 111.896 -177.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -58.1 86.6 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -105.39 -9.83 17.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.154 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -59.79 91.78 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 -176.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.89 32.5 84.13 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.723 177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.8 m -86.26 90.79 8.27 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.017 0.437 . . . . 0.0 110.627 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.495 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 93.2 mt -102.86 126.66 57.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.329 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.416 ' C ' ' H ' ' A' ' 98' ' ' GLY . 13.2 t80 -134.34 134.55 41.92 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 52.8 t 73.62 -37.01 0.36 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.02 0.528 . . . . 0.0 111.632 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 96' ' ' TYR . . . 163.76 -31.53 0.27 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.908 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -111.47 160.85 16.73 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.495 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -84.87 136.72 33.53 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.49 178.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 40.6 pt -86.77 136.49 22.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.503 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -98.86 115.67 5.37 Favored Glycine 0 N--CA 1.433 -1.505 0 C-N-CA 120.501 -0.856 . . . . 0.0 112.268 -177.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 56.6 m -109.78 102.06 10.89 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.2 m -123.23 158.01 59.45 Favored Pre-proline 0 C--N 1.312 -1.06 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.367 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.1 152.04 82.25 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.869 2.379 . . . . 0.0 110.995 177.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -56.89 102.29 0.08 Allowed 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.422 0.451 . . . . 0.0 111.256 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.444 ' O ' HG12 ' A' ' 111' ' ' ILE . 60.3 mtpt -101.93 134.92 44.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.232 177.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -63.89 -47.56 80.16 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.74 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -68.8 -33.14 73.35 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.315 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 50.1 tp -59.89 -40.73 89.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.721 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 107' ' ' LYS . 45.6 mm -61.82 -43.97 98.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.3 m -61.51 -42.77 99.31 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -58.74 -49.58 77.1 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.817 0.341 . . . . 0.0 110.497 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.98 -43.35 95.99 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.432 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.3 p . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.61 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 77' ' ' LEU . . . -135.26 143.18 46.15 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.51 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.27 160.27 42.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.505 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -107.94 114.44 46.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.09 127.3 65.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -141.93 173.34 11.6 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.871 0.367 . . . . 0.0 111.485 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.76 -2.57 23.09 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.685 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -125.94 176.1 7.22 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.757 0.313 . . . . 0.0 111.309 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -128.32 166.31 18.88 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.596 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -76.68 86.16 3.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.24 0.543 . . . . 0.0 109.629 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -168.23 -39.66 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.363 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 pp -88.5 21.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.354 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.4 m -61.0 -47.93 84.18 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.298 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -56.52 -37.26 70.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.47 0.652 . . . . 0.0 109.425 -178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -72.47 -67.05 0.58 Allowed 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.426 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.4 tt -66.16 -33.5 63.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 2.4 tm? -63.27 -39.65 95.18 Favored 'General case' 0 C--O 1.203 -1.379 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.372 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.39 -34.48 73.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.772 0.32 . . . . 0.0 111.787 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -83.28 -46.83 12.17 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.742 0.306 . . . . 0.0 111.794 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -83.78 -4.9 59.01 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -177.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 27' ' ' LEU . . . -56.32 -14.97 3.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.459 0.304 . . . . 0.0 111.725 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -60.26 -27.49 67.28 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -95.75 -67.65 0.84 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.533 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.26 -161.35 25.66 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.255 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.45 139.77 57.08 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.856 0.328 . . . . 0.0 110.298 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 75' ' ' THR . 43.5 mm -103.83 -54.52 6.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 120.906 0.384 . . . . 0.0 110.531 178.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -117.82 179.6 4.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.315 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.73 -37.49 86.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.72 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.75 142.11 49.76 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.854 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.312 -1.036 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.037 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -134.04 148.59 51.09 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 1.2 pm0 -75.56 147.86 39.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.958 0.409 . . . . 0.0 111.5 -178.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -154.25 169.75 22.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -176.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.65 -163.86 23.38 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -94.8 -19.68 20.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.247 0.524 . . . . 0.0 111.506 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.9 p -123.43 -2.72 8.45 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.65 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -143.12 147.84 35.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.425 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 36' ' ' ILE . 59.3 m -128.04 132.54 49.09 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 120.951 0.405 . . . . 0.0 111.57 -178.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 69' ' ' GLU . 83.9 tttt -91.31 113.73 26.08 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 176.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 12' ' ' ALA . 96.7 mt -112.76 124.57 52.88 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.038 0.447 . . . . 0.0 111.52 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.9 m -111.03 123.74 50.78 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.465 ' C ' ' H ' ' A' ' 81' ' ' ASN . 47.8 m-85 -103.59 -3.72 24.83 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.273 -176.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.95 -36.23 0.34 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.671 0.788 . . . . 0.0 111.793 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.465 ' H ' ' C ' ' A' ' 79' ' ' TYR . 14.6 m120 -99.36 139.57 34.82 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.458 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 45.2 p-80 -80.47 -15.78 55.93 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.18 0.514 . . . . 0.0 110.293 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.5 m -62.14 -40.41 95.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.592 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m -71.85 -18.57 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.337 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.458 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 62.3 t80 -60.13 -49.28 78.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.21 -42.61 96.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.055 0.455 . . . . 0.0 111.202 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -67.95 -42.19 81.32 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.715 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.93 -13.52 60.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.997 0.427 . . . . 0.0 111.632 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.4 tp -79.53 -6.0 56.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.694 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 90' ' ' ARG . 12.0 ptm180 -49.04 108.94 0.21 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -108.76 4.46 23.71 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.419 175.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -76.13 93.1 3.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.325 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.53 28.62 73.43 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.703 -0.68 . . . . 0.0 113.134 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 18.2 m -82.36 82.81 7.69 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.332 0.587 . . . . 0.0 110.355 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 97.5 mt -111.54 126.09 68.9 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.353 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -136.4 133.08 36.33 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.301 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 49.4 t 68.15 16.25 9.42 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.463 0.649 . . . . 0.0 110.609 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.21 -10.63 61.72 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.686 -0.688 . . . . 0.0 113.107 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.19 146.41 50.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 117.154 0.477 . . . . 0.0 111.698 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -77.62 142.42 38.91 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.216 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.8 pt -97.48 154.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.097 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.74 131.58 9.74 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.465 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.5 p -131.44 130.4 42.46 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.869 0.366 . . . . 0.0 110.654 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.9 m -132.64 161.58 62.48 Favored Pre-proline 0 C--N 1.315 -0.894 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.704 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -65.3 160.89 40.19 Favored 'Trans proline' 0 C--O 1.239 0.528 0 C-N-CA 121.936 1.757 . . . . 0.0 109.689 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -60.03 97.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.416 0.627 . . . . 0.0 110.433 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -96.69 116.29 28.88 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.019 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -60.03 -45.51 92.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.796 -175.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -66.8 -30.69 70.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.982 0.42 . . . . 0.0 111.033 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.98 -40.35 95.32 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.484 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.8 mm -62.02 -43.67 97.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.1 m -61.54 -41.51 97.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.439 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.24 -41.12 86.18 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 121.003 0.43 . . . . 0.0 111.186 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.0 -38.37 88.3 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.881 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.1 p . . . . . 0 C--O 1.24 0.587 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -177.457 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.8 129.49 38.71 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.659 176.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 m -112.13 155.49 13.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.022 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.701 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -99.54 117.0 44.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.1 t -101.56 122.04 53.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.581 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -134.63 157.8 45.68 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.557 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.49 0.27 21.9 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.068 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.515 ' HB2' HD12 ' A' ' 22' ' ' ILE . 38.8 p90 -105.84 171.47 7.32 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -140.66 160.82 39.2 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 34.1 tt0 -76.54 61.48 1.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.45 0.643 . . . . 0.0 110.475 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -158.49 9.19 0.14 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.711 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 18' ' ' TYR . 30.0 pt -131.16 20.0 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.3 m -60.82 -44.41 96.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -59.95 -29.49 68.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.25 0.548 . . . . 0.0 110.169 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -89.24 -68.99 0.74 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -176.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.1 tt -64.82 -40.66 89.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.76 -34.39 77.73 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.854 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.97 -32.73 66.36 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.998 0.428 . . . . 0.0 111.263 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -90.74 -41.78 11.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.819 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -85.59 -7.39 58.88 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -175.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.9 -23.86 55.2 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.071 0.462 . . . . 0.0 110.847 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -59.6 -36.73 76.85 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.244 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -95.19 -50.63 4.97 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.055 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.23 150.07 7.92 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.069 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -70.52 137.25 50.02 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 122.757 0.423 . . . . 0.0 111.534 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.501 ' N ' HD13 ' A' ' 36' ' ' ILE . 3.6 mp -94.07 -40.57 11.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.909 -178.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 4.4 mp -121.72 168.12 12.17 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -69.13 -32.04 71.15 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.725 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.43 146.43 54.89 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.059 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tm? . . . . . 0 N--CA 1.44 -0.94 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -178.669 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.448 -0.552 0 CA-C-O 121.49 0.662 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -135.52 139.01 43.64 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -74.03 136.17 43.1 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -149.12 170.45 18.39 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.432 -176.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.453 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -106.63 -158.64 21.69 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.819 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.6 ttp-105 -69.55 -44.7 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.912 0.387 . . . . 0.0 111.866 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.7 p -129.29 15.17 6.15 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.303 -175.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.453 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 60.1 p-90 -140.17 143.19 35.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.183 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.8 t -142.19 147.08 35.98 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -100.15 118.92 37.48 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.0 mt -102.79 130.58 49.82 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.031 0.443 . . . . 0.0 111.225 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.4 m -103.99 111.32 23.83 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -88.07 -18.78 28.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.754 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 68.31 -59.37 0.44 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.722 0.809 . . . . 0.0 112.139 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -82.7 140.27 33.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.974 0.416 . . . . 0.0 110.247 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -79.26 -25.18 42.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.635 -178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.7 t -61.42 -41.5 97.27 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.801 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 p -81.93 -15.48 53.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.098 0.475 . . . . 0.0 111.371 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -62.33 -42.08 99.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.968 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.11 -43.92 98.15 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -67.23 -37.17 83.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.847 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.58 -12.91 57.38 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 31.9 tp -82.27 -6.41 59.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.864 0.364 . . . . 0.0 110.974 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -53.43 102.08 0.05 Allowed 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -120.41 1.18 10.68 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.86 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -62.66 -38.02 88.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.315 -177.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.6 68.79 0.13 Allowed Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.4 m -111.53 92.05 3.89 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.095 0.474 . . . . 0.0 111.061 -177.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 88.7 mt -105.32 122.94 59.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.077 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -131.25 136.24 48.03 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 34.5 t 64.99 13.21 8.49 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.162 0.506 . . . . 0.0 111.466 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.83 7.39 56.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.1 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -142.69 145.51 33.47 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 117.267 0.534 . . . . 0.0 111.389 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -80.08 134.07 36.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.872 0.368 . . . . 0.0 110.682 177.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 29.5 pt -96.73 140.24 17.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.782 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -107.87 116.01 4.69 Favored Glycine 0 N--CA 1.437 -1.295 0 C-N-CA 120.109 -1.043 . . . . 0.0 112.126 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.2 p -121.57 100.8 7.22 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.265 0.555 . . . . 0.0 110.201 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.471 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 24.7 m -115.35 159.2 39.17 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.007 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 18.8 Cg_endo -58.83 151.56 63.71 Favored 'Trans proline' 0 C--O 1.242 0.715 0 C-N-CA 122.52 2.147 . . . . 0.0 111.642 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -61.06 120.62 10.62 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.585 0.707 . . . . 0.0 112.492 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -125.83 132.27 52.26 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 174.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -66.7 -34.76 78.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.822 0.344 . . . . 0.0 111.192 -177.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -68.34 -34.81 76.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.153 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.522 ' O ' HD12 ' A' ' 114' ' ' LEU . 26.5 tp -62.12 -43.43 98.86 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.984 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.48 -42.2 92.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.863 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.7 t -61.22 -45.67 93.59 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.716 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -61.45 -47.27 86.49 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.641 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 110' ' ' LEU . 10.7 mp -62.51 -33.96 75.93 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 CA--C 1.548 0.866 0 CA-C-O 121.117 0.484 . . . . 0.0 110.363 177.764 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 . . . . . 0 C--O 1.242 0.686 0 CA-C-O 121.322 0.582 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.02 142.62 38.26 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.964 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.8 m -120.5 159.84 21.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.044 0.449 . . . . 0.0 111.429 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.7 t -110.63 115.23 49.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.9 t -112.79 129.77 67.81 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.349 -178.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -147.41 170.04 18.22 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.27 -30.58 4.71 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.861 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -99.34 -170.2 1.87 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.833 0.349 . . . . 0.0 111.453 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.711 ' O ' HG13 ' A' ' 22' ' ' ILE . 75.5 ttt180 -119.56 153.17 35.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.77 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.562 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -67.11 -30.3 70.28 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.052 -0.405 . . . . 0.0 112.009 -179.228 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.17 -25.95 67.37 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.711 HG13 ' O ' ' A' ' 19' ' ' ARG . 2.8 pp -86.55 22.1 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -176.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.5 m -57.47 -45.58 84.65 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.356 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -58.74 -41.18 85.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.851 0.358 . . . . 0.0 111.363 -176.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -70.81 -60.98 1.94 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.93 -177.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.2 tt -65.76 -27.66 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.056 -174.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 42.0 tp -63.02 -35.46 80.31 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.391 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.62 -37.59 70.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.67 0.271 . . . . 0.0 111.323 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -90.85 -46.04 8.44 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -79.04 -5.77 54.78 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -176.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -58.8 -23.8 60.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.676 0.274 . . . . 0.0 111.265 177.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -66.04 -22.04 66.41 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.943 0.402 . . . . 0.0 110.274 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -89.99 -55.75 3.5 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.241 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.47 -134.57 4.11 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 119.388 -1.387 . . . . 0.0 114.723 177.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.404 ' O ' HD12 ' A' ' 36' ' ' ILE . 36.1 tt0 -67.43 123.75 21.27 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.665 1.186 . . . . 0.0 111.197 -176.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.404 HD12 ' O ' ' A' ' 35' ' ' GLU . 9.2 mm -134.45 145.51 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -178.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.562 ' CD1' ' HA ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER 50.77 -107.57 0.3 Allowed 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 177.41 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -169.31 -54.16 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.889 0.376 . . . . 0.0 111.506 -174.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.93 74.16 8.93 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.037 -179.204 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.235 0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 111.868 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -92.41 151.18 20.38 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.593 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.71 132.32 42.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.421 0.629 . . . . 0.0 111.014 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -106.48 125.15 50.64 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.534 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.76 -119.59 0.87 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.609 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -86.94 -82.98 0.2 Allowed 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 121.233 0.54 . . . . 0.0 110.639 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.4 p -114.85 9.86 16.32 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.234 -177.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -110.97 137.41 48.63 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.091 0.472 . . . . 0.0 111.057 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.9 m -130.5 129.76 43.32 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.96 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -96.27 114.15 25.81 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.36 -0.536 . . . . 0.0 109.571 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.1 mt -96.69 121.44 38.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.988 0.423 . . . . 0.0 110.397 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.2 m -111.72 112.0 23.39 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.737 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -108.13 -12.17 15.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.227 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 66.53 -1.19 1.33 Allowed 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.409 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -116.82 132.5 56.68 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.819 0.342 . . . . 0.0 110.107 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -64.87 -36.04 83.08 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.597 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.1 t -59.81 -50.27 74.47 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -67.01 -36.74 82.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.389 0.614 . . . . 0.0 110.328 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.454 ' OH ' ' HB3' ' A' ' 105' ' ' PRO . 19.5 t80 -58.66 -50.67 73.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.805 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.0 tp -67.84 -39.46 83.83 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.466 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.27 -20.72 64.8 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.019 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.33 -25.93 68.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.743 0.306 . . . . 0.0 111.74 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 103' ' ' CYS . 11.1 mp -74.62 -5.3 42.19 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.886 0.474 . . . . 0.0 111.884 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -52.86 139.02 28.26 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 121.482 0.658 . . . . 0.0 112.281 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -79.66 1.38 26.51 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.792 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -69.23 -17.67 63.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.497 ' C ' HG13 ' A' ' 101' ' ' ILE . . . -65.19 -43.93 94.68 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 173.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.484 HG21 ' O ' ' A' ' 93' ' ' GLY . 3.1 t 54.65 -165.04 0.1 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 170.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.488 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 91.9 mt -74.24 103.13 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.413 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.448 ' C ' ' H ' ' A' ' 98' ' ' GLY . 2.7 t80 -111.09 129.13 56.02 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.489 -178.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.5 t 71.46 -36.4 0.36 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.207 0.603 . . . . 0.0 111.883 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 96' ' ' TYR . . . 169.88 -17.08 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.886 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.5 153.68 50.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.083 0.442 . . . . 0.0 111.177 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -70.54 152.43 43.98 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.676 178.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.497 HG13 ' C ' ' A' ' 93' ' ' GLY . 1.3 mt -82.94 119.73 32.98 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.6 103.95 2.22 Favored Glycine 0 N--CA 1.438 -1.181 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.323 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.436 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 14.2 m -109.03 110.22 21.44 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.6 m -113.3 158.16 39.07 Favored Pre-proline 0 C--N 1.31 -1.114 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.66 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.454 ' HB3' ' OH ' ' A' ' 85' ' ' TYR . 27.2 Cg_exo -62.46 150.87 85.93 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.467 2.111 . . . . 0.0 110.93 176.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -59.0 115.13 2.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.187 0.518 . . . . 0.0 110.986 -178.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -120.04 117.52 28.23 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.177 178.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.6 -41.11 94.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.842 -177.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -63.33 -42.95 99.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.373 . . . . 0.0 110.398 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 62.2 tp -62.33 -42.7 99.6 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.001 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.4 mm -62.46 -42.76 96.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.124 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.2 t -59.89 -48.84 80.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.001 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.34 -41.13 98.86 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.411 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 89.3 mt -63.54 -43.29 97.54 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.386 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 C--O 1.237 0.42 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.695 -179.712 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.55 130.94 36.53 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.134 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.9 m -130.93 160.76 41.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.301 -177.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.6 t -109.12 112.93 42.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.198 177.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.613 HG23 ' SG ' ' A' ' 103' ' ' CYS . 21.4 t -99.74 130.22 49.15 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.893 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -147.76 172.06 14.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.437 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.44 2.21 56.61 Favored Glycine 0 C--O 1.226 -0.363 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.008 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.434 ' HB2' HD12 ' A' ' 22' ' ' ILE . 54.5 p90 -117.41 157.89 25.41 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.593 ' O ' HG12 ' A' ' 22' ' ' ILE . 57.1 ttp180 -125.04 153.39 42.93 Favored 'General case' 0 C--N 1.309 -1.19 0 C-N-CA 120.516 -0.474 . . . . 0.0 109.762 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -49.93 -32.6 15.17 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.13 -25.39 63.82 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 19' ' ' ARG . 28.7 pt -88.35 30.78 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 122.073 -0.392 . . . . 0.0 110.995 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -43.9 -73.5 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -174.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -61.05 -40.36 93.35 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -52.63 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.1 tt -73.24 -27.12 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.0 tp -61.8 -45.87 91.98 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 120.688 0.28 . . . . 0.0 110.632 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.13 -27.13 68.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.319 -0.401 . . . . 0.0 112.039 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -91.62 -49.13 6.46 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -90.83 -19.89 22.91 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -173.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.28 -12.07 47.89 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -63.96 -30.25 71.34 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.802 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -123.33 -12.79 7.77 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.05 116.9 0.63 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.943 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.28 119.81 18.03 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 120.966 0.412 . . . . 0.0 110.554 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 8.8 mt -107.68 164.39 5.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.735 -178.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 80.8 mt 71.82 -107.35 0.04 OUTLIER 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 123.19 0.596 . . . . 0.0 111.577 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 45.9 mt-10 -164.13 -67.77 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.038 0.935 . . . . 0.0 109.231 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.605 ' CG ' ' H ' ' A' ' 40' ' ' LEU . 17.5 t70 62.74 -169.82 0.18 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.426 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.605 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -173.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 CA--C 1.508 -0.647 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.17 149.82 41.63 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.234 -1.348 . . . . 0.0 109.075 177.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.19 151.94 38.43 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.545 0.688 . . . . 0.0 112.526 -176.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -128.13 143.86 51.08 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.001 -0.999 . . . . 0.0 108.85 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.55 134.67 8.38 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.07 -1.062 . . . . 0.0 111.892 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 51.32 -90.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.1 p -132.58 18.67 4.3 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.955 -177.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -135.2 143.44 46.4 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.993 0.425 . . . . 0.0 112.013 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 t -144.66 148.5 34.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.598 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.422 ' NZ ' ' HB3' ' A' ' 76' ' ' LYS . 2.2 ttpm? -107.06 104.19 13.79 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.466 HD22 ' H ' ' A' ' 77' ' ' LEU . 2.6 pt? -115.23 154.99 28.04 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.216 0.531 . . . . 0.0 111.476 -177.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.8 m -103.1 123.53 46.83 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.817 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -92.56 -3.67 54.69 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 68.12 -48.81 0.54 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.002 0.921 . . . . 0.0 113.022 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -96.06 142.27 28.46 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.021 0.438 . . . . 0.0 110.889 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.526 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 22.1 t60 -74.94 -25.35 58.82 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.847 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.7 m -60.44 -41.06 93.27 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.281 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.4 m -68.77 -24.23 64.41 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.952 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.526 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 88.8 t80 -59.18 -46.99 86.97 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.589 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.18 -42.36 88.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.807 0.337 . . . . 0.0 111.641 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.426 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 94.2 mtt180 -66.1 -40.91 91.12 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.22 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.2 -12.12 59.97 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.45 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.5 tp -63.73 -4.54 3.18 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.515 0.726 . . . . 0.0 111.864 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 87' ' ' ARG . 18.8 mmt180 -37.88 130.78 1.09 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.677 0.791 . . . . 0.0 111.838 178.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -136.4 -153.88 0.52 Allowed 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.301 -177.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -55.19 124.09 15.83 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.828 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.37 -26.74 5.97 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.6 m -92.59 91.09 7.4 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.452 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 98.9 mt -94.08 125.52 46.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.426 -178.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -129.09 126.42 39.32 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.823 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.0 t 66.95 9.98 7.29 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.048 0.539 . . . . 0.0 111.936 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.01 -9.49 21.0 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.28 -0.962 . . . . 0.0 113.589 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.38 153.14 51.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 117.068 0.434 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -89.2 129.52 35.77 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.818 0.342 . . . . 0.0 110.834 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 40.4 pt -89.26 142.29 13.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.909 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -120.82 123.89 5.7 Favored Glycine 0 N--CA 1.435 -1.408 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.552 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.613 ' SG ' HG23 ' A' ' 15' ' ' VAL . 49.6 t -130.18 125.78 35.82 Favored 'General case' 0 N--CA 1.433 -1.275 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.42 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 30.7 m -134.14 160.94 66.58 Favored Pre-proline 0 C--N 1.312 -1.024 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 18.9 Cg_endo -60.13 153.09 61.01 Favored 'Trans proline' 0 C--O 1.239 0.569 0 C-N-CA 122.439 2.093 . . . . 0.0 111.305 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -55.21 124.68 17.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.174 0.512 . . . . 0.0 111.959 -178.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -134.75 138.29 44.21 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.241 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -65.55 -41.45 92.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.621 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.85 -40.27 94.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.634 -177.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 58.0 tp -60.77 -46.42 90.54 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 120.805 0.336 . . . . 0.0 110.365 -179.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.8 mm -64.99 -43.25 96.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.641 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.0 m -61.1 -46.81 89.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.991 -178.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.2 -36.96 80.38 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.14 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 93.3 mt -63.55 -42.76 98.35 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.884 177.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.476 -179.165 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.734 0.302 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.91 129.92 34.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.938 0.399 . . . . 0.0 111.196 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -116.1 153.97 17.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.209 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.3 t -111.74 118.14 56.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.527 HG11 ' SG ' ' A' ' 103' ' ' CYS . 3.0 t -113.23 130.19 67.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -144.08 169.2 18.31 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.743 -178.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.59 19.52 12.1 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.867 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.534 ' OH ' ' HB ' ' A' ' 75' ' ' THR . 16.3 p90 -135.88 158.48 44.31 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 122.304 0.242 . . . . 0.0 110.402 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.2 ttm-85 -102.29 158.31 16.28 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.459 ' HA ' HD21 ' A' ' 37' ' ' LEU . 33.4 tt0 -67.72 -4.34 11.95 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.091 0.556 . . . . 0.0 111.968 -175.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.65 -13.76 29.07 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.428 HD13 ' HB2' ' A' ' 18' ' ' TYR . 13.3 pt -99.42 30.98 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.811 -177.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.535 HG22 ' HB2' ' A' ' 37' ' ' LEU . 6.9 m -60.34 -52.17 66.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -173.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -63.45 -40.88 98.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.125 0.488 . . . . 0.0 110.652 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -62.55 -56.91 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.719 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.2 tt -69.02 -30.71 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.94 -176.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.497 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 53.1 tp -62.33 -45.45 93.15 Favored 'General case' 0 C--O 1.206 -1.19 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.039 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -22.79 65.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.03 0.443 . . . . 0.0 111.54 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -86.78 -47.04 9.42 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.722 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -93.99 -4.93 48.75 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 27' ' ' LEU . . . -48.39 -27.22 2.47 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 114.052 1.131 . . . . 0.0 114.052 -174.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -61.73 -30.75 70.98 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.098 0.475 . . . . 0.0 110.75 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -158.89 53.32 0.41 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.455 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.59 124.35 0.94 Allowed Glycine 0 C--N 1.337 0.586 0 C-N-CA 119.845 -1.169 . . . . 0.0 113.807 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -102.3 90.0 3.76 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.06 128.05 43.94 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.838 -171.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.535 ' HB2' HG22 ' A' ' 23' ' ' THR . 10.0 mp 64.67 -169.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.111 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -124.08 16.63 9.23 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -173.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -121.49 80.87 1.72 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.664 0.745 . . . . 0.0 110.67 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.4 mt . . . . . 0 C--N 1.305 -1.348 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.787 -175.895 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 CA--C 1.561 1.383 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -83.35 147.52 27.87 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 122.027 -0.421 . . . . 0.0 110.652 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -75.22 111.56 10.59 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 121.332 0.587 . . . . 0.0 110.154 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.479 ' HA ' ' CZ3' ' A' ' 74' ' ' TRP . 6.1 p-80 -148.78 167.64 25.06 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.114 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.09 -140.55 8.35 Favored Glycine 0 N--CA 1.435 -1.432 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -104.41 146.29 29.05 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 18' ' ' TYR . 30.5 p 72.19 -11.2 0.81 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 124.625 1.17 . . . . 0.0 113.184 -178.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.479 ' CZ3' ' HA ' ' A' ' 70' ' ' HIS . 60.3 p-90 -134.46 129.53 35.36 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.969 0.414 . . . . 0.0 111.037 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.534 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 53.0 m -135.67 134.79 39.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.253 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -93.59 128.47 39.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.666 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.6 mt -112.47 119.75 39.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.794 0.331 . . . . 0.0 111.72 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.0 m -114.37 126.32 54.86 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.833 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -113.89 -4.2 13.32 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.589 0.356 . . . . 0.0 110.298 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.22 -5.28 1.36 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.269 0.628 . . . . 0.0 112.003 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -129.03 142.51 50.89 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.745 0.307 . . . . 0.0 111.222 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.5 p-80 -73.92 -19.19 60.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.945 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.3 m -60.36 -43.88 96.11 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.158 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 t -79.06 -25.0 43.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -59.24 -48.66 80.8 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.454 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.2 tp -64.18 -42.53 96.64 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.359 -176.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -69.82 -36.75 75.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.25 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.15 -12.12 60.5 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.427 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.28 -39.83 88.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.652 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 56.75 -120.65 1.44 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.113 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 54.48 41.74 31.77 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 121.928 0.87 . . . . 0.0 110.341 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -120.8 44.59 2.45 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.13 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.67 38.93 50.01 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.415 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.8 m -83.49 98.5 9.57 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.251 0.548 . . . . 0.0 111.638 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 94.8 mt -109.16 125.53 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.527 178.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -132.67 131.71 41.6 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 93.5 m 63.81 20.99 12.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.003 0.43 . . . . 0.0 111.756 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.18 -5.89 61.39 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.706 -0.759 . . . . 0.0 114.031 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.2 152.81 52.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.459 0.63 . . . . 0.0 111.22 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.43 134.82 33.73 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.1 pt -91.83 150.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.744 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.61 128.29 9.52 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 120.172 -1.013 . . . . 0.0 111.77 -178.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.527 ' SG ' HG11 ' A' ' 15' ' ' VAL . 35.0 m -131.7 111.38 11.62 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.408 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 19.5 m -139.6 159.27 66.08 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.906 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 21.9 Cg_endo -61.83 150.45 85.98 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.658 2.239 . . . . 0.0 111.7 177.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.512 ' CE1' HG13 ' A' ' 111' ' ' ILE . 73.3 t80 -56.46 117.73 4.12 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.227 0.536 . . . . 0.0 111.753 -177.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.466 ' O ' HG12 ' A' ' 111' ' ' ILE . 64.3 mttp -114.84 137.05 52.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.506 177.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -65.03 -46.08 82.82 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.616 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -67.81 -37.55 82.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.215 -178.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 64.5 tp -61.01 -44.64 97.13 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.972 0.415 . . . . 0.0 110.151 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . 0.512 HG13 ' CE1' ' A' ' 106' ' ' TYR . 46.6 mm -63.66 -38.59 82.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.583 177.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.3 t -58.26 -45.86 87.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.442 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -66.55 -42.64 86.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.075 0.464 . . . . 0.0 110.515 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.411 ' HB3' ' CE2' ' A' ' 74' ' ' TRP . 93.3 mt -63.58 -41.02 98.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.931 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.0 t . . . . . 0 CA--C 1.534 0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.486 -178.483 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.454 ' ND2' ' HA ' ' A' ' 80' ' ' ALA . 31.2 p-10 . . . . . 0 C--O 1.237 0.429 0 CA-C-O 121.143 0.497 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.37 144.58 46.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.208 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.9 m -128.73 162.44 35.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.212 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.17 119.88 53.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.478 HG13 ' SG ' ' A' ' 103' ' ' CYS . 20.3 t -102.35 127.21 56.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -144.86 164.43 31.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.545 0.212 . . . . 0.0 111.462 -178.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.69 23.06 7.02 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.761 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.452 ' OH ' HG22 ' A' ' 75' ' ' THR . 26.7 p90 -147.15 167.22 24.7 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 122.727 0.411 . . . . 0.0 110.287 -177.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -118.91 158.99 24.62 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HA ' HD23 ' A' ' 37' ' ' LEU . 39.1 tt0 -78.08 46.35 0.59 Allowed 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.903 0.859 . . . . 0.0 111.108 -176.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.99 -7.75 3.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.502 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.8 pt -106.91 34.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.434 -177.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.438 HG21 ' HA ' ' A' ' 39' ' ' ASP . 23.2 m -50.94 -73.67 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.565 0 O-C-N 123.364 0.415 . . . . 0.0 112.039 -176.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -50.58 -34.88 27.47 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.277 0.631 . . . . 0.0 112.078 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.471 ' HB3' ' OH ' ' A' ' 96' ' ' TYR . 59.7 mt-30 -66.61 -71.59 0.19 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.962 -176.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.9 tt -70.37 -31.92 48.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -175.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.535 HD11 ' H ' ' A' ' 36' ' ' ILE . 45.9 tp -60.99 -37.29 81.96 Favored 'General case' 0 C--O 1.211 -0.974 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.735 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.42 -25.73 26.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -90.83 -46.35 8.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -94.94 -10.18 31.85 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -174.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -55.36 -34.58 64.41 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -173.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -64.59 -20.65 66.38 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 120.762 0.315 . . . . 0.0 111.226 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -120.49 -5.88 9.79 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.499 ' O ' ' HA ' ' A' ' 31' ' ' ALA . . . 171.74 158.1 15.07 Favored Glycine 0 C--O 1.224 -0.527 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.592 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -100.82 143.03 31.47 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 122.626 -0.338 . . . . 0.0 111.041 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.535 ' H ' HD11 ' A' ' 27' ' ' LEU . 62.4 mt -132.2 133.84 60.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.027 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.519 ' HG ' HG21 ' A' ' 36' ' ' ILE . 70.4 mt 72.98 -177.71 0.19 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.403 0.681 . . . . 0.0 112.806 177.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -81.51 93.48 6.68 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.948 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.438 ' HA ' HG21 ' A' ' 23' ' ' THR . 0.2 OUTLIER -88.67 171.4 10.04 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.076 177.551 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.319 -0.722 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 121.705 0.764 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -143.07 151.0 40.3 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.385 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.404 ' HB3' ' HE2' ' A' ' 76' ' ' LYS . 43.7 tt0 -74.89 123.27 24.77 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.099 0.476 . . . . 0.0 110.509 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -139.65 155.8 47.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.043 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.08 -114.82 3.51 Favored Glycine 0 N--CA 1.44 -1.047 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 177.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -105.57 -72.25 0.72 Allowed 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 120.961 0.41 . . . . 0.0 111.018 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -105.09 11.44 33.26 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.145 -178.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -142.73 152.54 42.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.673 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.452 HG22 ' OH ' ' A' ' 18' ' ' TYR . 12.2 t -143.49 146.39 33.36 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 69' ' ' GLU . 36.8 ttpt -85.35 103.17 14.02 Favored 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 174.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.496 HD22 ' HA3' ' A' ' 34' ' ' GLY . 3.8 tt -95.55 121.45 37.25 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.423 0.63 . . . . 0.0 110.142 -173.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.47 ' N ' HD23 ' A' ' 77' ' ' LEU . 46.2 m -95.66 96.72 9.21 Favored 'General case' 0 N--CA 1.424 -1.736 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.721 178.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -72.36 -26.76 62.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.066 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.454 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . . . 73.18 -53.51 0.7 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.261 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.25 138.86 45.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.059 0.457 . . . . 0.0 111.441 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -80.99 -22.22 39.65 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.393 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.1 p -61.37 -45.93 92.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.811 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.5 t -86.7 -11.94 49.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.85 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.22 -47.14 87.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.951 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.16 -40.28 94.1 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.672 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -65.08 -22.59 66.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.585 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' A' ' 103' ' ' CYS . . . -64.55 -21.35 66.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.564 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.26 -6.71 51.19 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.726 -178.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.433 HH11 ' HG3' ' A' ' 90' ' ' ARG . 8.0 ptm180 -46.56 124.02 5.54 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.234 0.54 . . . . 0.0 111.286 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -128.37 -6.01 5.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.499 -176.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -61.49 100.54 0.14 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -175.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 38.53 65.42 0.74 Allowed Glycine 0 N--CA 1.472 1.066 0 CA-C-N 115.114 -0.948 . . . . 0.0 114.688 175.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.535 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 23.3 m -116.79 90.12 3.26 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.89 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 93.4 mt -106.34 119.39 55.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.471 ' OH ' ' HB3' ' A' ' 25' ' ' GLN . 9.1 t80 -137.19 133.37 35.1 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -177.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.9 t 67.51 16.43 9.94 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.16 0.505 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.06 -17.03 35.48 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.929 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.36 159.26 42.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.523 0.662 . . . . 0.0 111.605 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.535 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -76.53 138.02 39.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.779 177.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.2 pt -97.25 139.76 19.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.208 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.27 144.14 14.86 Favored Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.404 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' CYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 88' ' ' ALA . 49.6 m -131.33 103.42 6.44 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -115.15 159.73 36.74 Favored Pre-proline 0 C--N 1.314 -0.94 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.2 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.45 147.41 91.47 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.432 2.088 . . . . 0.0 111.384 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -57.39 122.87 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.258 0.552 . . . . 0.0 111.903 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -128.3 132.74 48.65 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.914 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -66.05 -40.95 91.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.031 0.444 . . . . 0.0 110.183 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -62.66 -36.64 83.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.733 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.461 ' O ' HD13 ' A' ' 114' ' ' LEU . 49.8 tp -62.75 -44.14 96.98 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.283 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.1 mm -63.16 -45.7 97.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.215 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.0 m -61.3 -40.05 92.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.18 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.56 -50.66 70.44 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.881 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 110' ' ' LEU . 11.3 mp -63.49 -38.01 89.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.628 178.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.593 179.295 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.704 0.287 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 t -63.71 -42.01 98.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.763 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.6 mt -88.79 158.92 17.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.897 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.45 -173.29 16.36 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.185 -0.531 . . . . 0.0 111.923 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m 61.43 -161.51 0.29 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 122.715 0.406 . . . . 0.0 111.286 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -132.47 76.64 1.7 Allowed 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.074 0.464 . . . . 0.0 109.845 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 p -143.87 -164.78 1.96 Allowed 'General case' 0 N--CA 1.4 -2.965 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -121.01 -168.19 1.62 Allowed 'General case' 0 N--CA 1.412 -2.339 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.4 m -68.18 -45.42 73.48 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.97 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.9 -35.31 4.22 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.838 -0.619 . . . . 0.0 113.03 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -120.53 21.08 11.71 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.164 0.507 . . . . 0.0 111.646 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.12 140.14 37.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.976 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 m -123.45 159.74 27.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 120.926 0.393 . . . . 0.0 111.191 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.6 t -107.78 116.26 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 62.4 t -107.11 126.6 63.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.087 -178.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -139.36 159.11 42.93 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.961 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.91 34.58 5.39 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.617 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 55.5 p90 -132.45 162.85 30.12 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' O ' HG12 ' A' ' 22' ' ' ILE . 58.8 ttp180 -127.47 153.72 45.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.137 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 19.9 mp0 -68.77 4.73 1.33 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -177.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.41 0.7 45.85 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 120.657 0.265 . . . . 0.0 111.208 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.507 HG12 ' O ' ' A' ' 19' ' ' ARG . 19.8 pt -120.27 9.05 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -178.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 37' ' ' LEU . 24.7 m -58.3 -46.82 85.39 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -173.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -61.22 -37.72 84.03 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.251 0.548 . . . . 0.0 109.74 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.508 ' HG2' ' HH ' ' A' ' 96' ' ' TYR . 41.5 tt0 -78.95 -59.22 2.87 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.535 -176.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.9 tt -66.55 -36.28 76.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -174.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 10.3 tt -63.45 -37.3 86.78 Favored 'General case' 0 C--O 1.199 -1.583 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.655 -178.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.09 -44.67 71.39 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.063 0.227 . . . . 0.0 111.505 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -64.34 -50.41 67.85 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -81.37 -7.68 59.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.843 -175.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.55 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -58.52 -23.55 58.41 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.039 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.576 ' OE1' ' HB ' ' A' ' 49' ' ' THR . 60.9 tp60 -58.81 -30.28 67.51 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.479 0.657 . . . . 0.0 109.859 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -102.87 -45.78 4.88 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.558 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.55 ' O ' ' HA ' ' A' ' 31' ' ' ALA . . . -176.05 -163.14 28.18 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.13 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -110.31 156.39 20.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.767 0.283 . . . . 0.0 110.409 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 52.1 mt -114.75 -57.18 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -174.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' HB2' ' CG2' ' A' ' 23' ' ' THR . 5.5 mp -106.54 177.98 4.69 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.229 -0.188 . . . . 0.0 111.169 -178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 43.7 mt-10 -92.51 -19.86 21.54 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -174.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -88.73 98.83 11.91 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.38 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.2 tp -144.27 116.38 8.4 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-O 121.369 0.604 . . . . 0.0 110.805 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -118.8 127.32 53.42 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.074 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.1 p 49.59 94.37 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.564 0.746 . . . . 0.0 111.759 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.63 112.14 18.53 Favored 'General case' 0 N--CA 1.424 -1.758 0 CA-C-O 121.844 0.831 . . . . 0.0 110.947 -174.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 mt 58.94 85.25 0.1 Allowed 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 113.854 -1.521 . . . . 0.0 110.214 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.0 -40.94 97.65 Favored Glycine 0 C--N 1.333 0.411 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.708 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.425 ' O ' ' HB ' ' A' ' 47' ' ' THR . 26.7 m-20 -125.18 157.29 36.81 Favored 'General case' 0 CA--C 1.492 -1.268 0 CA-C-O 120.599 0.238 . . . . 0.0 110.629 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.536 HG21 ' H ' ' A' ' 49' ' ' THR . 59.2 m 75.2 -48.25 0.62 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.732 177.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.612 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 47.6 mt-10 59.27 11.14 2.0 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 123.2 0.6 . . . . 0.0 110.732 -175.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.576 ' HB ' ' OE1' ' A' ' 32' ' ' GLN . 73.4 p 49.16 24.43 0.95 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.856 1.263 . . . . 0.0 113.518 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.0 ptt? 42.29 38.76 1.25 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 124.033 0.933 . . . . 0.0 112.029 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.612 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 19.7 ptt180 -70.55 162.75 28.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.348 -178.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 54' ' ' GLY . 10.7 m 71.98 136.29 0.05 OUTLIER Pre-proline 0 CA--C 1.548 0.899 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.419 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -70.42 14.87 0.29 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.84 2.36 . . . . 0.0 112.43 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 52' ' ' THR . . . -130.98 14.55 5.45 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.529 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 72.78 -40.95 0.49 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.93 0.892 . . . . 0.0 111.839 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -127.11 155.74 42.84 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.215 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -90.87 123.6 34.52 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.681 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -99.98 104.11 15.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.997 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -158.7 144.05 16.39 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.91 135.41 19.3 Favored Pre-proline 0 C--N 1.31 -1.112 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.51 -14.0 40.9 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.206 2.604 . . . . 0.0 112.408 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -89.73 -2.01 58.15 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.849 0.357 . . . . 0.0 111.18 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -133.71 -167.96 2.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.608 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -63.0 139.69 58.8 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 38' ' ' GLU . 80.1 mmt-85 -65.66 -40.25 92.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.129 0.49 . . . . 0.0 109.833 -177.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.3 tt -100.97 124.66 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.235 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.896 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.3 m -79.25 -12.84 59.95 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.504 -178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.72 150.89 23.32 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.147 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -74.75 127.36 32.97 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.992 -177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -122.51 150.02 43.13 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.413 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.59 -156.53 16.66 Favored Glycine 0 N--CA 1.436 -1.343 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.589 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -69.06 -44.6 72.27 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.806 0.336 . . . . 0.0 111.494 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.4 p -133.33 13.45 4.18 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.434 ' CD1' ' HB3' ' A' ' 114' ' ' LEU . 69.2 p-90 -139.31 150.37 45.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.485 0.184 . . . . 0.0 111.156 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 t -143.46 146.57 33.54 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 120.739 0.304 . . . . 0.0 110.939 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -93.34 108.58 20.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.3 mt -100.3 117.25 34.12 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.205 0.526 . . . . 0.0 110.474 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.1 m -110.67 120.92 43.99 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.748 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.462 ' C ' ' H ' ' A' ' 81' ' ' ASN . 77.5 m-85 -109.03 -9.07 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.622 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.67 -23.78 0.15 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.387 0.675 . . . . 0.0 112.472 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 79' ' ' TYR . 3.8 m-20 -107.17 137.43 45.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.929 0.395 . . . . 0.0 110.645 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -68.04 -32.27 72.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.33 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 m -61.11 -47.82 84.53 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.018 0.437 . . . . 0.0 110.672 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -66.99 -36.68 82.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.274 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -58.62 -51.07 71.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.978 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.8 tp -68.98 -41.74 77.47 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.715 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -65.67 -39.51 91.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.777 0.323 . . . . 0.0 111.669 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.19 -13.78 59.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.545 ' O ' ' HB2' ' A' ' 103' ' ' CYS . 37.1 tp -62.51 -43.33 99.07 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.399 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.494 ' O ' ' HD2' ' A' ' 92' ' ' HIS . 27.1 mmt180 49.35 -113.08 0.58 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.943 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 56.46 26.4 10.81 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-O 121.773 0.797 . . . . 0.0 111.461 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.494 ' HD2' ' O ' ' A' ' 90' ' ' ARG . 24.1 m-70 -115.32 46.28 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.609 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.35 35.85 7.81 Favored Glycine 0 CA--C 1.501 -0.799 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.644 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.3 m -91.32 105.21 17.62 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 121.032 0.444 . . . . 0.0 110.824 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 96.3 mt -109.48 122.96 64.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.227 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.508 ' HH ' ' HG2' ' A' ' 25' ' ' GLN . 8.0 t80 -122.81 125.51 45.59 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.089 -177.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 92.6 m 61.18 22.94 13.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.963 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.47 -7.95 58.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.422 -0.894 . . . . 0.0 113.668 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.84 144.58 51.56 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 117.385 0.593 . . . . 0.0 111.121 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -77.65 130.32 36.69 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.263 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.4 pt -86.0 149.6 4.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.37 106.72 2.26 Favored Glycine 0 N--CA 1.433 -1.565 0 C-N-CA 120.306 -0.949 . . . . 0.0 112.959 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.545 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 58.5 m -110.4 104.73 13.54 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 175.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.3 m -117.6 162.2 29.93 Favored Pre-proline 0 C--N 1.305 -1.358 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.348 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -64.72 152.98 79.98 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.541 2.161 . . . . 0.0 110.576 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -62.29 124.13 20.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.119 0.485 . . . . 0.0 111.542 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.496 ' O ' HG12 ' A' ' 111' ' ' ILE . 99.3 mttt -131.5 128.58 39.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.119 177.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -66.46 -42.98 86.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.58 0.229 . . . . 0.0 111.562 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.18 -35.01 79.73 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.075 0.464 . . . . 0.0 110.601 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 51.1 tp -62.48 -40.4 96.55 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.095 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 107' ' ' LYS . 45.1 mm -60.99 -43.59 96.4 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.155 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.61 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 47.4 m -60.04 -42.12 93.77 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.48 177.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.53 -43.42 85.23 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.208 0.527 . . . . 0.0 110.542 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 82.5 mt -63.15 -39.96 96.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.585 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.7 p -71.53 -17.39 62.32 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.61 ' HG3' ' O ' ' A' ' 112' ' ' SER . 84.1 mtp180 -73.07 -50.6 21.98 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.859 0.361 . . . . 0.0 110.618 178.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -77.28 -41.08 42.23 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 121.887 0.851 . . . . 0.0 109.641 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -101.9 59.41 0.59 Allowed Glycine 0 C--N 1.295 -1.731 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.157 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -62.29 124.85 21.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.351 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -133.06 -37.76 0.98 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.668 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -144.93 157.99 43.96 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.704 0.288 . . . . 0.0 110.543 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.407 ' O ' ' HB3' ' A' ' 123' ' ' HIS . 66.8 m80 -83.04 143.91 30.28 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 175.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.407 ' HB3' ' O ' ' A' ' 122' ' ' HIS . 54.6 t-80 74.54 -37.35 0.35 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.062 0.545 . . . . 0.0 111.725 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 64.3 m80 . . . . . 0 C--N 1.32 -0.701 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.135 179.617 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.5 mtt . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 p -76.03 143.04 41.66 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.885 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 mp -88.77 85.47 6.78 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.989 0.423 . . . . 0.0 110.362 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.88 115.25 4.89 Favored Glycine 0 N--CA 1.437 -1.296 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.352 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 p -134.39 141.92 47.0 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 120.925 0.393 . . . . 0.0 110.657 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -95.17 -5.04 44.9 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.429 0.633 . . . . 0.0 109.792 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.6 p -67.99 -39.45 83.25 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.904 -1.043 . . . . 0.0 111.7 -177.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -102.18 59.83 0.83 Allowed 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.287 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p 48.39 76.2 0.12 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 114.815 -1.084 . . . . 0.0 113.347 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.99 9.85 72.92 Favored Glycine 0 C--O 1.224 -0.516 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -106.28 13.26 29.01 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.2 0.524 . . . . 0.0 110.418 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.35 142.67 51.38 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.594 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -123.36 157.34 29.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 120.944 0.402 . . . . 0.0 111.322 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.9 t -111.56 114.86 48.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.9 t -115.73 130.46 70.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 120.949 0.404 . . . . 0.0 110.219 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -144.56 156.2 44.03 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.76 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.71 -21.74 4.43 Favored Glycine 0 C--N 1.32 -0.323 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.474 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.476 ' HH ' ' HB ' ' A' ' 75' ' ' THR . 38.9 p90 -99.73 150.8 21.93 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.933 0.397 . . . . 0.0 110.779 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -74.21 -83.3 0.05 Allowed 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -174.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 179.85 -52.56 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.451 0.643 . . . . 0.0 109.476 -174.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 0.37 3.78 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.699 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 pt -88.2 17.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.559 0.218 . . . . 0.0 110.799 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.448 HG21 ' HB3' ' A' ' 39' ' ' ASP . 35.8 m -45.11 -71.59 0.07 Allowed 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -176.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.522 ' HZ1' ' CG ' ' A' ' 39' ' ' ASP . 12.4 mptt -58.16 -37.46 74.73 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -173.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.485 ' HG2' ' OH ' ' A' ' 96' ' ' TYR . 42.4 tt0 -61.93 -65.82 0.63 Allowed 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.72 -177.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.2 tt -70.03 -26.97 30.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 120.962 0.41 . . . . 0.0 111.793 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 23' ' ' THR . 36.5 tp -62.7 -37.51 86.76 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.441 -177.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.92 -34.84 57.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.841 0.353 . . . . 0.0 111.916 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -93.23 -44.0 8.55 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -85.85 -11.53 53.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.51 -19.75 63.72 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 118.125 0.42 . . . . 0.0 110.81 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -67.74 -27.59 66.92 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.164 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.47 ' HB3' ' CE1' ' A' ' 79' ' ' TYR . 89.8 m-85 -88.09 -51.36 5.83 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.603 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' ' 51' ' ' ARG . . . 177.23 -167.61 38.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.411 -0.9 . . . . 0.0 112.885 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.582 ' OE1' HG13 ' A' ' 66' ' ' ILE . 42.8 tt0 -82.83 116.91 22.36 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.05 0.452 . . . . 0.0 110.173 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.447 ' O ' HG23 ' A' ' 75' ' ' THR . 38.1 mm -92.97 -53.34 8.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.541 -177.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.43 -172.91 3.62 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.857 -178.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.548 ' OE1' ' HA ' ' A' ' 65' ' ' ARG . 45.0 mt-10 -90.06 -138.85 0.14 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.868 -176.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.522 ' CG ' ' HZ1' ' A' ' 24' ' ' LYS . 10.0 t70 71.19 -75.26 0.08 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.3 0.64 . . . . 0.0 110.757 -176.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.2 mt 38.34 88.63 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.876 1.27 . . . . 0.0 114.251 177.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -114.22 -74.73 0.61 Allowed 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.461 175.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 p -76.09 -50.95 13.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.381 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' CD ' HH12 ' A' ' 51' ' ' ARG . 8.6 pt-20 42.31 82.47 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.128 1.159 . . . . 0.0 114.128 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp 56.71 -172.8 0.08 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.79 0.836 . . . . 0.0 112.536 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.5 123.09 2.41 Favored Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.824 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 70.99 -31.8 0.23 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.007 0.923 . . . . 0.0 112.875 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.2 m -81.43 64.23 6.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.903 0.859 . . . . 0.0 109.879 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -100.43 -28.45 12.92 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.061 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.0 p -75.51 139.32 42.11 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.067 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.5 ttp 64.39 74.7 0.4 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.293 0.568 . . . . 0.0 111.384 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.558 ' O ' ' HA2' ' A' ' 34' ' ' GLY . 78.6 mtp180 -126.76 3.72 6.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.085 178.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 p -155.92 115.81 2.21 Favored Pre-proline 0 C--N 1.314 -0.962 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.521 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.483 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 90.6 Cg_endo -83.8 16.26 1.95 Allowed 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.788 2.325 . . . . 0.0 112.207 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.43 -109.71 0.45 Allowed Glycine 0 N--CA 1.44 -1.067 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.752 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -79.77 128.6 33.62 Favored 'General case' 0 N--CA 1.425 -1.699 0 C-N-CA 122.772 0.429 . . . . 0.0 110.086 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -77.32 143.48 38.77 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.119 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -77.46 -35.1 54.21 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 69.56 122.4 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.422 0.689 . . . . 0.0 112.136 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -82.34 85.78 6.82 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.985 0.421 . . . . 0.0 110.044 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -112.88 114.35 49.26 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.87 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -61.95 136.79 63.4 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.586 2.191 . . . . 0.0 111.212 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 54.24 84.82 0.06 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.29 0.567 . . . . 0.0 111.755 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -119.61 175.66 5.75 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.076 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.679 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -61.58 -54.17 46.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.204 178.757 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.679 ' HG3' ' O ' ' A' ' 64' ' ' ARG . 70.3 mtt-85 -178.63 -173.44 0.32 Allowed 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 126.099 1.759 . . . . 0.0 109.646 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.582 HG13 ' OE1' ' A' ' 35' ' ' GLU . 4.3 tt -52.25 150.07 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 O-C-N 124.089 0.868 . . . . 0.0 110.246 175.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 t -77.08 20.51 0.26 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.141 0.496 . . . . 0.0 111.525 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' H ' ' C ' ' A' ' 66' ' ' ILE . 16.7 tpp180 -143.36 158.17 43.86 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -73.02 111.2 7.91 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.81 0.814 . . . . 0.0 111.47 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -129.31 128.27 42.83 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.016 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.47 -119.85 3.48 Favored Glycine 0 N--CA 1.433 -1.543 0 C-N-CA 120.427 -0.892 . . . . 0.0 110.968 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -91.48 -76.35 0.45 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 120.892 0.377 . . . . 0.0 109.993 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 p -107.6 3.01 24.38 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.13 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -113.08 135.92 53.27 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.509 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.476 ' HB ' ' HH ' ' A' ' 18' ' ' TYR . 39.2 m -135.23 129.3 33.45 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.025 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -84.59 126.95 33.79 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 173.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.417 HD12 ' OH ' ' A' ' 79' ' ' TYR . 96.1 mt -112.89 115.55 28.62 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.223 0.535 . . . . 0.0 110.974 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 87.9 m -110.34 114.06 27.22 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.624 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.47 ' CE1' ' HB3' ' A' ' 33' ' ' PHE . 92.9 m-85 -108.45 -1.52 19.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.91 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.71 -41.37 0.48 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.574 0.749 . . . . 0.0 112.396 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.483 ' ND2' ' HB2' ' A' ' 53' ' ' PRO . 33.7 m-80 -86.36 140.75 29.74 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 120.966 0.413 . . . . 0.0 110.705 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.505 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 33.9 t-80 -84.59 -19.88 32.34 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.006 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.4 m -61.44 -40.2 93.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.703 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 p -80.14 -12.0 59.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.555 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.505 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 67.1 t80 -60.3 -46.72 88.88 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.042 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.98 -42.77 99.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.279 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.51 -40.01 81.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.184 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.51 -13.63 59.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.942 0.401 . . . . 0.0 111.466 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.571 ' HA ' ' SG ' ' A' ' 103' ' ' CYS . 39.8 tp -83.04 -6.56 59.54 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.173 -178.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -59.39 125.44 23.65 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.507 0.67 . . . . 0.0 112.474 -175.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -138.69 6.44 2.47 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.198 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -75.77 95.76 3.52 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.472 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 68.13 26.5 74.06 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.472 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.0 m -93.26 99.54 12.07 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.006 0.432 . . . . 0.0 111.325 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.406 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 96.8 mt -116.01 126.61 73.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.016 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.485 ' OH ' ' HG2' ' A' ' 25' ' ' GLN . 12.0 t80 -139.03 134.31 32.83 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.897 -178.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.4 t 69.2 12.45 8.46 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.114 0.483 . . . . 0.0 111.299 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.72 -0.93 52.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.094 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.82 156.13 48.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.961 0.381 . . . . 0.0 111.1 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -88.78 129.92 35.46 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.248 178.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 30.4 pt -84.93 132.87 30.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 120.999 0.428 . . . . 0.0 110.161 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.26 131.92 10.76 Favored Glycine 0 CA--C 1.496 -1.134 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.346 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.571 ' SG ' ' HA ' ' A' ' 89' ' ' LEU . 42.4 t -131.21 124.22 30.13 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.068 0.461 . . . . 0.0 110.315 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.7 m -132.5 161.57 62.44 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.308 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.37 154.42 73.69 Favored 'Trans proline' 0 C--O 1.24 0.58 0 C-N-CA 122.646 2.23 . . . . 0.0 111.595 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -59.26 106.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.184 0.516 . . . . 0.0 110.801 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.535 ' O ' HG12 ' A' ' 111' ' ' ILE . 57.8 mtmt -116.0 126.5 53.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.108 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -56.91 -41.3 77.9 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -177.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.19 -44.45 95.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.914 0.387 . . . . 0.0 110.869 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.543 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 59.8 tp -62.86 -43.28 99.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.564 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 107' ' ' LYS . 46.2 mm -62.31 -42.94 97.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.243 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 t -60.73 -45.03 95.83 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.318 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -64.82 -41.01 96.1 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.046 0.451 . . . . 0.0 110.924 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 88.8 mt -64.55 -38.53 91.33 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.251 0.548 . . . . 0.0 110.903 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 41.3 m -79.06 -2.58 41.11 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.345 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -58.33 -44.17 88.57 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.82 0.343 . . . . 0.0 111.379 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -100.26 16.58 23.84 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.2 0.524 . . . . 0.0 110.425 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.86 -12.54 81.16 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.064 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -152.27 154.26 35.37 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -141.77 166.5 24.56 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.168 0.293 . . . . 0.0 111.157 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 83.5 t60 71.73 -46.8 0.65 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.926 0.89 . . . . 0.0 111.816 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -61.94 126.43 27.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.997 0.427 . . . . 0.0 110.55 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -124.85 -167.02 1.61 Allowed 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 75.6 m80 . . . . . 0 C--N 1.318 -0.8 0 CA-C-O 118.723 -0.656 . . . . 0.0 109.92 -179.834 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m 58.27 53.64 6.33 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 123.616 0.572 . . . . 0.0 111.339 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 62.91 -176.1 0.15 Allowed 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.618 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.12 45.68 5.56 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.108 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -63.12 -36.26 83.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.907 0.384 . . . . 0.0 111.111 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 60.6 33.81 20.32 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 123.581 0.752 . . . . 0.0 111.391 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 p -70.75 -61.33 1.81 Allowed 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 110.741 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 51.74 86.05 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.547 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.5 t -81.47 -18.62 44.58 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.135 0.493 . . . . 0.0 110.278 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.9 -148.32 22.44 Favored Glycine 0 N--CA 1.44 -1.091 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.839 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -96.27 22.18 8.06 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.985 0.421 . . . . 0.0 111.172 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.77 129.41 35.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.627 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.5 m -129.87 164.97 31.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.803 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.3 t -116.48 126.97 74.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.643 HG21 ' SG ' ' A' ' 103' ' ' CYS . 22.6 t -114.25 131.2 66.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -143.03 164.83 29.02 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.029 0.442 . . . . 0.0 111.868 -177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.77 -6.89 20.02 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.697 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.424 ' HB2' HG12 ' A' ' 22' ' ' ILE . 38.2 p90 -122.23 175.69 6.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.796 0.331 . . . . 0.0 111.154 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -136.27 164.87 27.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.381 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.461 ' HA ' HD23 ' A' ' 37' ' ' LEU . 16.9 tp10 -69.32 85.46 0.4 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.411 0.624 . . . . 0.0 109.438 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.47 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.02 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.424 HG12 ' HB2' ' A' ' 18' ' ' TYR . 2.8 pp -87.51 12.09 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.497 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.506 HG22 ' HB2' ' A' ' 37' ' ' LEU . 7.2 m -45.04 -72.88 0.05 OUTLIER 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 114.094 -1.412 . . . . 0.0 113.845 -173.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -61.17 -35.46 77.17 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 120.737 0.304 . . . . 0.0 111.563 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -61.24 -58.17 9.37 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.359 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.439 HG23 HG12 ' A' ' 36' ' ' ILE . 8.6 tt -69.95 -26.37 29.92 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 CA-C-O 121.203 0.525 . . . . 0.0 110.627 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 23' ' ' THR . 8.9 tt -60.95 -41.17 95.79 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.047 -178.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.86 -25.01 55.7 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -91.69 -49.18 6.42 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -89.94 -8.68 51.18 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -174.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.14 -3.94 12.14 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -55.29 -40.0 70.53 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -106.68 -9.96 16.31 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.007 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 51' ' ' ARG . . . 84.15 166.86 41.49 Favored Glycine 0 C--O 1.224 -0.492 0 CA-C-N 115.736 -0.665 . . . . 0.0 114.457 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.464 ' HG3' HG13 ' A' ' 66' ' ' ILE . 41.6 tt0 66.45 112.66 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.068 0.947 . . . . 0.0 112.496 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.532 ' C ' HD12 ' A' ' 37' ' ' LEU . 8.3 tp -145.65 -47.86 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 121.013 0.435 . . . . 0.0 111.332 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.532 HD12 ' C ' ' A' ' 36' ' ' ILE . 6.7 mp -144.38 -169.87 3.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -178.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.463 ' O ' ' HD3' ' A' ' 65' ' ' ARG . 45.7 mt-10 -81.51 -47.99 12.41 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -72.47 115.27 11.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.549 0.69 . . . . 0.0 110.661 -175.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.72 104.59 3.75 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.019 -171.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -176.54 123.14 0.16 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.54 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.7 m 57.73 83.8 0.11 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 177.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -135.37 -66.28 0.58 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.767 0.317 . . . . 0.0 110.697 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp -111.99 134.06 53.78 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.95 -17.37 59.65 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.567 ' O ' HG21 ' A' ' 47' ' ' THR . 29.9 t70 -109.85 155.2 21.98 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.567 HG21 ' O ' ' A' ' 46' ' ' ASP . 1.4 t 59.69 15.81 5.0 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.28 1.032 . . . . 0.0 112.23 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' OE2' ' HD2' ' A' ' 51' ' ' ARG . 2.5 tm-20 -66.97 -34.4 77.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.694 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 t -81.15 -2.26 47.79 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.6 mmm -94.97 -3.06 49.21 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.941 0.4 . . . . 0.0 110.633 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.446 ' HD2' ' OE2' ' A' ' 48' ' ' GLU . 95.9 mtt180 -70.28 104.66 2.73 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.905 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 m 59.85 81.25 0.25 Allowed Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.961 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.47 106.95 0.64 Allowed 'Trans proline' 0 C--N 1.323 -0.773 0 C-N-CA 123.471 2.78 . . . . 0.0 111.831 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.75 -61.53 0.66 Allowed Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.805 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -126.83 100.77 6.31 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.911 0.386 . . . . 0.0 110.648 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -71.95 151.93 42.91 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.29 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -72.48 146.54 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.983 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.408 ' CD ' ' HG3' ' A' ' 63' ' ' ARG . 53.5 tt0 -112.94 117.46 32.14 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -81.86 82.86 7.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.365 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.11 147.0 24.94 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.371 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.3 -20.23 61.99 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.751 2.301 . . . . 0.0 112.353 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -92.41 3.64 55.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.411 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.408 ' HG3' ' CD ' ' A' ' 58' ' ' GLN . 39.1 mmt180 -128.37 173.24 10.36 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.755 0.788 . . . . 0.0 112.199 -178.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -98.42 141.02 31.81 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.483 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HD3' ' O ' ' A' ' 38' ' ' GLU . 99.8 mtt180 -66.43 -38.06 86.56 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.618 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.464 HG13 ' HG3' ' A' ' 35' ' ' GLU . 5.1 tt -115.66 132.83 63.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.764 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.0 t -65.48 -43.08 91.36 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.373 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 76' ' ' LYS . 5.7 tpm_? -82.46 154.68 25.0 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.682 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -74.53 145.05 43.78 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.009 0.433 . . . . 0.0 110.767 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -134.14 161.24 35.42 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.104 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.543 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -110.28 -118.4 3.94 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.301 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -111.64 -73.17 0.68 Allowed 'General case' 0 CA--C 1.502 -0.872 0 CA-C-O 120.834 0.349 . . . . 0.0 110.723 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 p -102.44 13.15 35.3 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.11 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.543 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 38.4 p-90 -137.32 140.66 41.65 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.518 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.4 m -130.11 129.02 43.0 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.301 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.485 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 87.0 tttt -86.45 131.06 34.28 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 176.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.6 mt -126.59 134.94 50.68 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.72 0.295 . . . . 0.0 111.654 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 83.1 m -112.22 100.28 8.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.996 0.427 . . . . 0.0 110.492 176.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.456 ' HB3' ' OG ' ' A' ' 84' ' ' SER . 96.3 m-85 -78.67 -24.4 45.15 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.618 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.8 -34.51 0.3 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.75 0.82 . . . . 0.0 112.842 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 79' ' ' TYR . 38.9 m-80 -100.79 141.27 33.91 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.639 0.257 . . . . 0.0 110.745 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -66.09 -35.49 80.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.337 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 m -58.13 -45.95 86.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.138 0.494 . . . . 0.0 110.213 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.456 ' OG ' ' HB3' ' A' ' 79' ' ' TYR . 4.1 p -74.66 -32.05 62.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.561 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -59.74 -49.34 78.1 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.641 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.6 tp -70.44 -27.05 63.95 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.6 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.641 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 93.4 mtt180 -76.3 -14.15 60.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.609 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.445 ' O ' ' HB3' ' A' ' 103' ' ' CYS . . . -75.4 -13.3 60.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.011 0.434 . . . . 0.0 111.302 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.89 -4.28 27.25 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 123.377 0.671 . . . . 0.0 112.748 -176.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' A' ' 87' ' ' ARG . 31.2 mmm180 -47.65 89.66 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -176.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -158.84 88.72 0.91 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.773 0.797 . . . . 0.0 109.312 174.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -136.36 30.69 2.93 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.99 38.37 2.52 Favored Glycine 0 N--CA 1.434 -1.441 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -174.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.72 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 4.1 m -84.07 81.24 8.88 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-O 121.126 0.489 . . . . 0.0 111.633 -175.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 100' ' ' ALA . 3.2 mm -85.49 116.7 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.547 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -128.87 127.51 41.98 Favored 'General case' 0 N--CA 1.432 -1.352 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 16.1 t 64.32 13.92 8.36 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.032 0.444 . . . . 0.0 111.131 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.24 -17.4 16.86 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.858 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.44 153.66 51.8 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 117.74 0.77 . . . . 0.0 112.533 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.72 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -82.42 140.85 33.2 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.495 -179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 38.0 pt -102.92 126.15 57.2 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.61 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -116.11 131.98 9.92 Favored Glycine 0 N--CA 1.437 -1.253 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.358 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.643 ' SG ' HG21 ' A' ' 15' ' ' VAL . 48.1 t -131.06 134.4 46.6 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 120.952 0.406 . . . . 0.0 110.751 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.0 m -137.72 166.65 24.76 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.098 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.12 150.78 85.37 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.199 1.933 . . . . 0.0 110.818 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -54.45 110.66 0.66 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.286 0.565 . . . . 0.0 111.455 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.458 ' O ' HG12 ' A' ' 111' ' ' ILE . 71.7 mmtt -110.94 125.93 54.21 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.362 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -64.47 -41.03 96.73 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.262 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.84 -39.33 93.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.171 0.51 . . . . 0.0 109.914 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.21 -41.69 98.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.607 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 107' ' ' LYS . 36.7 mm -62.28 -43.34 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.234 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.4 m -59.93 -44.02 94.59 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.171 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -62.57 -45.78 91.36 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.098 0.475 . . . . 0.0 110.815 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.492 HD11 ' CG ' ' A' ' 74' ' ' TRP . 96.9 mt -64.85 -40.67 95.52 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.841 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.7 t -63.02 -42.62 99.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.28 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -69.52 -10.79 59.58 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.402 -0.519 . . . . 0.0 112.015 -177.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.53 -8.79 54.0 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.366 0.603 . . . . 0.0 110.903 175.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -72.68 -27.76 68.59 Favored Glycine 0 N--CA 1.437 -1.298 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 173.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 57.22 29.16 16.23 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.796 0.839 . . . . 0.0 112.001 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -99.24 -11.23 21.48 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.967 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 34.5 t60 72.61 137.41 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.849 0.859 . . . . 0.0 110.628 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -82.08 -65.59 0.99 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 63.68 -82.3 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.297 0.639 . . . . 0.0 111.533 -176.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 . . . . . 0 C--N 1.318 -0.795 0 CA-C-O 118.677 -0.678 . . . . 0.0 109.477 -179.295 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.478 0.928 0 CA-C-O 120.539 0.209 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m 64.72 16.03 10.14 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.379 0.671 . . . . 0.0 112.311 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.4 mt -70.5 -38.16 74.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.803 0.335 . . . . 0.0 110.987 178.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.55 -154.61 6.19 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.411 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -83.78 157.56 22.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.71 0.291 . . . . 0.0 110.413 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -64.9 -29.68 70.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.364 0.602 . . . . 0.0 110.675 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.9 m 67.73 25.45 8.06 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.897 -1.047 . . . . 0.0 113.013 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -88.89 87.1 7.11 Favored 'General case' 0 N--CA 1.418 -2.07 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.414 ' C ' ' H ' ' A' ' 11' ' ' ASN . 11.2 p -61.09 -46.92 88.67 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 115.049 -0.978 . . . . 0.0 112.045 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.24 -31.29 1.36 Allowed Glycine 0 CA--C 1.522 0.508 0 C-N-CA 121.188 -0.529 . . . . 0.0 113.207 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' A' ' 9' ' ' THR . 5.2 m-20 -89.04 10.54 21.28 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.29 0.567 . . . . 0.0 110.703 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.89 141.74 51.18 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.229 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.417 HG11 ' CE1' ' A' ' 85' ' ' TYR . 29.7 m -118.54 156.54 20.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-O 121.028 0.442 . . . . 0.0 110.951 -178.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.6 t -106.59 119.85 56.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG23 ' SG ' ' A' ' 103' ' ' CYS . 57.2 t -100.34 121.47 51.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -141.88 164.84 29.11 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.982 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.17 -17.62 7.98 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.136 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -96.01 171.9 8.34 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 110.537 -0.171 . . . . 0.0 110.537 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -90.0 -83.14 0.25 Allowed 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -178.32 -42.25 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.132 0.491 . . . . 0.0 110.115 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.08 24.51 3.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -176.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 pp -109.62 8.36 8.96 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.341 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 m -57.97 -46.03 85.8 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.252 -174.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.473 ' HE2' ' OD2' ' A' ' 39' ' ' ASP . 70.5 mmtt -48.97 -36.53 17.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 122.715 0.406 . . . . 0.0 111.611 -177.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.5 -60.98 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.6 tt -66.53 -29.09 45.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -174.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.453 HD22 ' HG2' ' A' ' 43' ' ' GLU . 51.3 tp -60.91 -43.52 98.45 Favored 'General case' 0 C--O 1.21 -0.99 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -176.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.15 -22.83 43.04 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -86.98 -48.05 8.44 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -92.1 -8.63 45.2 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -175.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.514 ' O ' ' HD3' ' A' ' 51' ' ' ARG . . . -64.97 -14.41 60.14 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 120.813 0.34 . . . . 0.0 111.281 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.22 -25.32 65.15 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.174 0.511 . . . . 0.0 110.001 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -109.88 -44.24 3.85 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.379 -176.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -158.65 -162.3 11.78 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 119.826 -1.178 . . . . 0.0 113.532 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' CD ' HH21 ' A' ' 68' ' ' ARG . 0.0 OUTLIER -111.23 136.71 49.93 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.931 0.492 . . . . 0.0 111.588 -178.255 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.443 HG21 HD13 ' A' ' 37' ' ' LEU . 59.2 mt -132.56 132.24 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.443 HD13 HG21 ' A' ' 36' ' ' ILE . 1.5 mp 69.14 -178.93 0.22 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.194 0.597 . . . . 0.0 111.37 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.59 ' HB3' ' NH2' ' A' ' 65' ' ' ARG . 36.6 mt-10 -103.55 -41.43 5.98 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.473 ' OD2' ' HE2' ' A' ' 24' ' ' LYS . 38.9 t70 -78.53 96.44 5.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.079 0.466 . . . . 0.0 110.165 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.8 mt -100.88 -104.5 0.24 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.25 -174.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' HA ' ' OE1' ' A' ' 41' ' ' GLU . 5.2 mm-40 66.26 147.56 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.2 p 46.42 49.8 12.97 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.167 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' HG2' HD22 ' A' ' 27' ' ' LEU . 37.7 mt-10 -77.76 -82.64 0.09 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.544 -176.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.0 mt -124.3 -177.06 3.67 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.737 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.2 -87.45 1.66 Allowed Glycine 0 N--CA 1.44 -1.039 0 C-N-CA 120.163 -1.017 . . . . 0.0 111.097 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -124.2 11.31 8.78 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.352 0.596 . . . . 0.0 110.346 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.9 p -94.7 10.34 35.37 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.754 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.582 ' HG3' ' HE ' ' A' ' 51' ' ' ARG . 38.6 tt0 -60.33 -23.19 64.04 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.661 178.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.2 p -63.7 -25.22 68.1 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.042 0.449 . . . . 0.0 110.781 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.4 tpt -65.57 -37.24 86.11 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.01 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.582 ' HE ' ' HG3' ' A' ' 48' ' ' GLU . 37.2 ptt180 -88.77 159.24 17.86 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.105 -178.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 70.1 p 57.35 125.18 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.894 1.278 . . . . 0.0 114.177 176.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 52' ' ' THR . 39.4 Cg_exo -62.93 -18.3 64.29 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.781 2.321 . . . . 0.0 112.076 178.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -139.28 80.96 0.27 Allowed Glycine 0 C--N 1.302 -1.323 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.895 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -79.24 71.95 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.713 0.768 . . . . 0.0 111.668 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -76.48 -47.88 21.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.87 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -63.3 -45.83 89.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 54.34 79.34 0.14 Allowed 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.459 0.475 . . . . 0.0 111.149 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 40.57 79.69 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.692 0.797 . . . . 0.0 112.468 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.85 87.0 17.22 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.036 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.8 -17.94 41.88 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.799 2.333 . . . . 0.0 112.976 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -97.29 7.91 45.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.904 0.383 . . . . 0.0 111.215 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.426 ' HB3' ' H ' ' A' ' 64' ' ' ARG . 94.7 mtt180 -132.91 -157.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.264 0.555 . . . . 0.0 111.451 178.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.426 ' H ' ' HB3' ' A' ' 63' ' ' ARG . 33.6 mtt-85 -71.97 128.69 36.52 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.302 -177.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.59 ' NH2' ' HB3' ' A' ' 38' ' ' GLU . 1.3 mpp_? -87.0 -63.62 1.28 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.1 0.476 . . . . 0.0 110.632 -178.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.4 tt -120.55 125.78 74.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.996 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t -104.28 37.3 2.13 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.762 0.791 . . . . 0.0 109.344 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.639 ' NH1' ' HB ' ' A' ' 78' ' ' THR . 39.3 ttm-85 -123.9 154.82 39.17 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.957 -1.019 . . . . 0.0 108.776 -177.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -75.05 139.77 43.07 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.082 0.468 . . . . 0.0 111.248 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -157.02 159.71 38.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.858 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.68 -79.94 1.49 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 109.799 -1.321 . . . . 0.0 109.799 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -174.57 -43.32 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 123.131 0.572 . . . . 0.0 110.249 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.1 p -96.44 -5.72 38.99 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.135 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -147.05 145.99 29.85 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.085 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 t -143.85 147.44 34.07 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 173.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -85.84 122.52 30.03 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.052 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -98.96 114.62 27.34 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.27 0.557 . . . . 0.0 111.258 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.639 ' HB ' ' NH1' ' A' ' 68' ' ' ARG . 19.0 m -111.86 96.24 5.95 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.696 178.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -89.73 -15.14 33.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.28 -45.71 0.62 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.723 0.809 . . . . 0.0 111.976 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -79.65 137.96 37.24 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 121.053 0.454 . . . . 0.0 110.677 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.454 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 67.0 t60 -66.85 -37.84 85.22 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.538 -178.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.598 ' O ' ' HG2' ' A' ' 87' ' ' ARG . 4.1 p -60.88 -48.17 83.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.465 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.9 p -68.74 -29.08 67.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.055 0.455 . . . . 0.0 110.969 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.454 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 63.9 t80 -59.79 -49.52 77.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.599 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.3 tp -67.12 -34.14 76.97 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.237 -177.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 83' ' ' SER . 39.0 mmt180 -65.88 -17.21 64.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.767 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.19 -12.22 30.82 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.9 tp -60.15 -49.12 78.89 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 111.633 0.234 . . . . 0.0 111.633 -175.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 46.26 34.55 2.24 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 176.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -91.83 61.99 4.26 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.182 0.515 . . . . 0.0 110.129 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -168.08 91.6 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 50.57 36.31 31.27 Favored Glycine 0 N--CA 1.465 0.607 0 CA-C-N 116.051 -0.522 . . . . 0.0 113.782 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 30.9 m -96.63 85.19 3.8 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.265 0.555 . . . . 0.0 110.517 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.507 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 82.5 mt -99.83 120.93 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.429 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -116.35 122.98 46.47 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.9 t 70.37 -52.79 0.65 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.85 0.86 . . . . 0.0 112.438 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -160.45 -25.24 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.196 -1.002 . . . . 0.0 113.566 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.75 155.89 49.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.317 0.559 . . . . 0.0 111.328 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.507 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -73.47 141.28 46.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.171 177.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 38.5 pt -89.36 129.19 40.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 CA-C-O 121.042 0.449 . . . . 0.0 109.939 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.98 124.26 8.18 Favored Glycine 0 N--CA 1.436 -1.33 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.297 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.469 ' SG ' HG23 ' A' ' 15' ' ' VAL . 38.5 m -127.74 119.87 26.7 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 120.957 0.408 . . . . 0.0 110.273 178.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.4 m -133.27 158.48 75.62 Favored Pre-proline 0 C--N 1.315 -0.899 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -61.21 147.28 96.04 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.211 1.941 . . . . 0.0 110.724 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -56.51 123.33 14.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.15 0.5 . . . . 0.0 111.598 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -135.5 151.9 50.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.883 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -64.53 -48.2 75.96 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.283 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.569 ' O ' ' HG3' ' A' ' 113' ' ' GLU . 9.6 tp10 -66.73 -34.98 79.05 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.124 -178.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.527 ' O ' HD21 ' A' ' 114' ' ' LEU . 2.8 tm? -58.88 -47.79 83.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.882 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.2 mm -64.93 -43.15 96.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.277 0.56 . . . . 0.0 110.344 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.7 m -61.41 -40.74 95.51 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.595 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 68.4 mt-10 -66.72 -42.91 85.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 111.312 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.527 HD21 ' O ' ' A' ' 110' ' ' LEU . 2.8 mm? -64.57 -38.56 91.42 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.991 0.424 . . . . 0.0 111.578 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.2 p -79.04 -5.66 54.51 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 -176.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 113' ' ' GLU . 15.6 ptm180 -65.88 -20.02 66.08 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.09 -178.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -130.53 11.01 5.27 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.654 0.74 . . . . 0.0 109.237 175.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -107.88 -26.04 5.69 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.851 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -98.35 92.79 5.86 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -85.48 45.32 1.18 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.438 -178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -138.37 150.04 46.17 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.236 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -84.78 128.05 34.42 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.829 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -72.34 115.09 11.18 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 6.5 p80 . . . . . 0 C--N 1.313 -0.996 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.22 -179.881 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 110.046 -0.354 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -129.59 154.55 46.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.802 0.334 . . . . 0.0 110.704 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.49 154.26 26.4 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.661 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.0 111.59 1.84 Allowed Glycine 0 N--CA 1.437 -1.256 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -130.6 155.52 46.4 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.4 0.619 . . . . 0.0 112.504 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -84.93 66.91 9.97 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.638 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.4 p -76.32 -1.4 26.52 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.507 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -94.07 4.41 53.94 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.214 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.3 p -76.88 -53.31 8.05 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.829 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 57.48 -112.39 3.66 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.695 178.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -120.5 19.73 11.94 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.009 0.433 . . . . 0.0 110.282 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.52 140.15 34.71 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.782 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.1 m -133.58 164.5 34.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.949 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.2 t -118.29 128.38 75.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.54 HG21 ' SG ' ' A' ' 103' ' ' CYS . 8.3 t -109.18 135.1 49.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -145.52 157.82 43.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.892 0.377 . . . . 0.0 111.79 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.89 35.47 2.19 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.69 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.409 ' HB2' HD12 ' A' ' 22' ' ' ILE . 31.9 p90 -151.64 168.05 26.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.871 0.336 . . . . 0.0 111.372 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -133.92 167.8 19.93 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.989 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.98 93.29 1.36 Allowed 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 178.79 -33.38 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.784 0.802 . . . . 0.0 109.489 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.418 HD11 ' C ' ' A' ' 22' ' ' ILE . 2.9 pp -99.27 16.95 3.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.525 -177.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.6 m -58.74 -48.46 81.11 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -173.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -61.26 -37.15 82.07 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.412 -176.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.08 -54.23 28.33 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.05 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.508 HG22 ' CD1' ' A' ' 30' ' ' PHE . 8.4 mt -64.69 -39.93 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.604 0.24 . . . . 0.0 111.338 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.547 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 1.2 tm? -57.89 -41.42 82.51 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.897 177.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.96 -29.07 69.43 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.403 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 85.2 t80 -93.72 -47.35 6.82 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.508 ' CD1' HG22 ' A' ' 26' ' ' ILE . 60.3 m-85 -84.62 -6.55 59.37 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -174.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.632 ' O ' ' HD2' ' A' ' 51' ' ' ARG . . . -59.99 -6.79 1.46 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -64.43 -28.96 70.03 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.981 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.24 -69.37 0.44 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -98.89 177.17 30.16 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 115.811 1.084 . . . . 0.0 115.811 -171.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -108.67 130.59 55.34 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.033 0.933 . . . . 0.0 109.345 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.532 HG13 HD21 ' A' ' 77' ' ' LEU . 2.8 mp -131.33 137.63 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.371 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mp 64.59 -167.48 0.22 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.368 0.667 . . . . 0.0 111.588 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -123.06 -11.48 8.05 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -175.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -90.02 82.84 6.08 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.263 0.554 . . . . 0.0 110.949 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.62 -54.01 6.03 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.59 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 62.22 -81.54 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 O-C-N 123.594 0.559 . . . . 0.0 111.269 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -114.13 102.8 10.49 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.612 ' HG2' ' NH1' ' A' ' 65' ' ' ARG . 1.6 mp0 -91.13 22.19 3.9 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.244 -172.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER 45.97 73.51 0.17 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.323 0.582 . . . . 0.0 112.342 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.07 167.12 42.73 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.377 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.27 5.57 48.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.609 0.719 . . . . 0.0 110.006 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.1 t -78.11 17.2 0.63 Allowed 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.053 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.3 -38.11 85.63 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.26 0.552 . . . . 0.0 109.793 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.592 ' HB ' ' HA ' ' A' ' 58' ' ' GLN . 15.2 t -65.67 -18.16 65.12 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.495 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.4 tpt -104.11 -3.03 25.01 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.402 0.62 . . . . 0.0 110.136 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.632 ' HD2' ' O ' ' A' ' 31' ' ' ALA . 13.3 tpp180 -68.46 -48.1 65.41 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-O 122.209 1.004 . . . . 0.0 109.01 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.764 ' HB ' ' CE1' ' A' ' 55' ' ' TYR . 1.0 OUTLIER -105.56 128.6 26.2 Favored Pre-proline 0 C--N 1.285 -2.228 0 CA-C-N 113.273 -1.785 . . . . 0.0 108.339 177.52 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 52' ' ' THR . 13.8 Cg_exo -67.93 117.55 4.98 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.23 1.953 . . . . 0.0 114.008 -175.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.18 88.64 0.11 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.855 -0.611 . . . . 0.0 113.917 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.764 ' CE1' ' HB ' ' A' ' 52' ' ' THR . 6.8 m-85 -131.37 177.5 7.43 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -96.48 6.27 49.1 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -168.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -160.68 159.46 30.31 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.41 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.592 ' HA ' ' HB ' ' A' ' 49' ' ' THR . 60.1 tt0 -88.45 -43.79 11.2 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.122 0.487 . . . . 0.0 109.963 176.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -169.89 99.11 0.3 Allowed 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.085 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.87 88.02 34.78 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-O 120.917 0.389 . . . . 0.0 111.793 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -63.51 -31.63 71.17 Favored 'Trans proline' 0 N--CA 1.479 0.655 0 C-N-CA 123.311 2.674 . . . . 0.0 113.858 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -91.64 7.58 40.86 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -174.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -129.55 147.54 51.36 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -60.89 104.7 0.38 Allowed 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.612 ' NH1' ' HG2' ' A' ' 43' ' ' GLU . 56.3 mtt180 -64.44 -44.19 91.94 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.694 -173.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.5 tt -68.66 121.11 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.336 0 CA-C-O 121.453 0.644 . . . . 0.0 110.129 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -61.55 -37.23 83.03 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.974 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.447 ' HD3' ' HB3' ' A' ' 76' ' ' LYS . 47.5 ttt85 -85.9 136.46 33.28 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.397 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.07 152.72 38.59 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.927 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -113.63 152.14 30.79 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.586 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.08 -63.98 1.76 Allowed Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.724 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 -161.62 -54.4 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.3 p -126.26 20.37 7.46 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 63.5 p-90 -136.26 147.66 47.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.013 0.435 . . . . 0.0 111.78 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.6 m -136.6 135.32 38.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.542 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HB3' ' HD3' ' A' ' 68' ' ' ARG . 86.4 tttt -90.91 122.52 33.67 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.532 HD21 HG13 ' A' ' 36' ' ' ILE . 68.3 mt -105.57 108.06 19.38 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 121.055 0.455 . . . . 0.0 110.641 177.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.0 m -100.18 95.73 7.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.452 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 89.0 m-85 -76.99 -31.61 56.63 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.586 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.66 10.51 7.11 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.634 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.452 ' ND2' ' HB3' ' A' ' 79' ' ' TYR . 9.3 p30 -136.55 147.92 47.3 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -78.69 -23.27 45.72 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.554 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.8 m -59.33 -60.69 3.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.719 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.1 p -73.92 -16.48 61.1 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -59.54 -48.33 82.06 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 120.782 0.325 . . . . 0.0 110.458 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.87 -37.7 88.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.136 0.493 . . . . 0.0 111.155 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -66.71 -23.71 66.15 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.522 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.579 ' O ' ' HB3' ' A' ' 103' ' ' CYS . . . -78.68 -14.61 59.21 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.6 mp -75.49 -3.53 34.52 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.8 ptp85 -43.01 120.27 1.75 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.434 0.635 . . . . 0.0 112.524 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.06 85.01 0.59 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -150.25 24.31 0.82 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.746 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.32 38.95 4.37 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.845 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 35.1 m -75.32 94.98 3.11 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 97.4 mt -82.91 121.52 36.08 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.593 -178.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -134.71 128.82 33.72 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 70.7 m 64.57 14.35 8.9 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 121.081 0.467 . . . . 0.0 111.097 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.5 -15.41 42.08 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 121.09 -0.576 . . . . 0.0 113.857 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.79 151.27 43.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.589 0.695 . . . . 0.0 111.332 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -81.66 110.04 16.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.851 0.358 . . . . 0.0 110.71 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 47.7 pt -85.47 164.38 2.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.105 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -150.09 156.35 26.69 Favored Glycine 0 N--CA 1.44 -1.052 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.31 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.579 ' HB3' ' O ' ' A' ' 88' ' ' ALA . 42.7 t -142.67 136.91 29.53 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.1 m -129.63 165.98 29.15 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.585 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.91 150.05 85.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.644 2.229 . . . . 0.0 111.235 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -61.89 126.39 27.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.432 0.634 . . . . 0.0 112.109 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -127.59 125.87 41.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.146 -0.933 . . . . 0.0 109.019 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -65.16 -36.04 82.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.165 0.507 . . . . 0.0 110.14 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -69.39 -35.53 75.88 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.146 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 62.2 tp -63.36 -42.51 98.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.751 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 47.6 mm -61.52 -46.71 96.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.058 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.426 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 8.5 p -63.6 -43.45 96.88 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.35 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -65.43 -40.34 93.21 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.773 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 86.7 mt -62.41 -42.65 99.59 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 120.918 0.389 . . . . 0.0 110.747 178.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.5 m -64.75 -43.21 94.08 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.787 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 112' ' ' SER . 99.5 mtt180 -66.84 -43.39 83.83 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.309 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -162.93 -68.95 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.257 0.551 . . . . 0.0 110.111 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 88.8 -8.74 78.72 Favored Glycine 0 C--N 1.301 -1.389 0 CA-C-N 115.221 -0.899 . . . . 0.0 113.842 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -89.64 68.11 7.58 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 122.273 -0.545 . . . . 0.0 111.771 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -135.49 117.64 15.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.024 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -103.97 -52.53 2.93 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.808 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 65.39 -62.42 0.22 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.59 0.756 . . . . 0.0 112.175 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -147.67 -34.49 0.24 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.577 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.132 179.559 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 ttp . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 120.793 0.33 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -133.2 126.15 30.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.783 0.325 . . . . 0.0 110.903 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.483 ' H ' HD12 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -108.23 -1.71 19.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 178.573 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.28 141.57 3.2 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.843 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 p -85.07 164.88 17.94 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.805 0.336 . . . . 0.0 111.286 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -85.5 -19.56 31.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.329 0.585 . . . . 0.0 109.717 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.4 t 57.13 18.29 4.02 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.564 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 58.31 19.13 6.02 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.452 0.701 . . . . 0.0 110.784 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.427 ' HA ' ' HB3' ' A' ' 106' ' ' TYR . 17.4 m -73.81 -53.36 10.44 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.184 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.02 -113.77 2.1 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.689 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -117.0 22.98 12.21 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 122.687 0.395 . . . . 0.0 110.847 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.78 144.58 36.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.07 0.462 . . . . 0.0 111.325 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.9 m -126.64 160.65 34.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.95 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -112.15 124.19 68.63 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.9 t -117.65 129.74 73.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -142.66 155.12 44.88 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -176.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.37 20.14 4.82 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.688 -0.687 . . . . 0.0 113.098 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.497 ' HB2' ' CD1' ' A' ' 22' ' ' ILE . 42.6 p90 -143.32 165.04 28.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.151 0.475 . . . . 0.0 112.001 -178.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.518 ' O ' HG12 ' A' ' 22' ' ' ILE . 46.6 ttp180 -107.31 151.35 25.6 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.761 -175.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.526 ' O ' HD12 ' A' ' 37' ' ' LEU . 10.0 tp10 -54.27 -32.64 56.71 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.855 0.862 . . . . 0.0 113.051 -175.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.74 -11.83 60.07 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.518 HG12 ' O ' ' A' ' 19' ' ' ARG . 5.2 pt -86.5 23.92 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -174.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.548 HG21 ' O ' ' A' ' 39' ' ' ASP . 13.1 m -59.15 -44.04 92.07 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.759 0.314 . . . . 0.0 111.45 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' A' ' 24' ' ' LYS . 3.5 mppt? -61.84 -21.85 65.01 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.914 0.387 . . . . 0.0 111.34 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -93.02 -67.44 0.86 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.164 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.7 mm -64.28 -43.91 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.528 ' HB3' ' O ' ' A' ' 23' ' ' THR . 8.3 tt -60.04 -29.73 68.71 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.76 99.44 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 120.784 0.326 . . . . 0.0 111.553 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -89.24 -44.53 10.2 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.876 0.37 . . . . 0.0 111.713 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.534 ' HD2' ' CE1' ' A' ' 33' ' ' PHE . 22.1 m-85 -77.63 -0.88 28.26 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.221 1.008 . . . . 0.0 113.542 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 27' ' ' LEU . . . -42.11 -13.01 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -61.34 -39.5 90.81 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.534 ' CE1' ' HD2' ' A' ' 30' ' ' PHE . 69.8 m-85 -65.74 -36.9 84.88 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.943 177.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.546 ' HA3' ' OG1' ' A' ' 52' ' ' THR . . . 110.26 -118.35 5.0 Favored Glycine 0 N--CA 1.429 -1.8 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.408 -176.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -90.28 98.31 11.7 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.919 0.39 . . . . 0.0 110.771 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.8 mm -67.61 -44.33 86.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.832 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.526 HD12 ' O ' ' A' ' 20' ' ' GLU . 71.3 mt -128.03 161.62 28.75 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.654 -174.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -81.73 -19.6 41.1 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.545 0.688 . . . . 0.0 110.068 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.548 ' O ' HG21 ' A' ' 23' ' ' THR . 12.4 t70 -69.52 143.69 53.37 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tt -129.81 -81.18 0.55 Allowed 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.784 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 64.88 -63.63 0.18 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.631 0.772 . . . . 0.0 111.566 -177.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.1 t -147.28 135.96 21.98 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -124.2 -144.47 0.33 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 mp -83.22 140.01 32.79 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.02 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.89 -34.42 48.0 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -130.22 -161.27 1.11 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 m 61.05 34.89 19.04 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 121.688 0.756 . . . . 0.0 110.702 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.67 -33.78 73.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.504 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.5 p -65.81 -26.58 67.74 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.101 -0.954 . . . . 0.0 113.376 -176.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 64.4 ttp -100.9 89.26 3.79 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.605 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.2 mmm-85 -144.72 173.66 11.65 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.546 ' OG1' ' HA3' ' A' ' 34' ' ' GLY . 15.4 m -56.92 122.2 50.97 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.93 116.57 3.32 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 123.008 2.472 . . . . 0.0 113.11 -175.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.61 -1.79 58.56 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.455 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -123.88 103.96 8.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.22 0.51 . . . . 0.0 112.315 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -112.1 18.15 18.96 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.3 p90 44.5 -178.26 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 176.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -136.56 149.74 48.24 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 115.089 -0.959 . . . . 0.0 108.734 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -103.23 95.31 6.02 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.138 0.494 . . . . 0.0 110.525 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.693 ' O ' ' HD2' ' A' ' 63' ' ' ARG . . . -153.61 153.06 28.49 Favored Pre-proline 0 C--O 1.212 -0.874 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.66 -31.92 93.2 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.419 2.08 . . . . 0.0 113.179 -178.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -101.38 33.8 2.79 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.96 0.41 . . . . 0.0 111.758 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.693 ' HD2' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -87.36 109.18 19.37 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -175.074 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 89.27 7.42 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 169.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -72.63 -43.6 63.04 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.14 -174.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.402 HG12 ' H ' ' A' ' 68' ' ' ARG . 19.4 tt -93.96 121.57 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-O 121.888 0.851 . . . . 0.0 111.524 -176.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.1 m -91.98 5.54 49.73 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.438 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.402 ' H ' HG12 ' A' ' 66' ' ' ILE . 14.6 mmm180 -99.89 140.07 34.64 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.46 -179.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -75.27 145.27 42.01 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.976 0.417 . . . . 0.0 111.575 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -150.94 162.57 40.55 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.918 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -116.29 -150.64 9.51 Favored Glycine 0 N--CA 1.437 -1.283 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.085 -177.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -62.73 -49.42 75.13 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.0 p -135.45 12.42 3.5 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.787 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -129.69 142.3 50.75 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.965 -178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.455 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 89.4 m -133.27 133.15 42.25 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -95.57 105.04 16.97 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.5 mt -100.74 127.35 47.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.593 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.1 m -113.14 121.68 45.26 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.728 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -87.01 -28.37 22.67 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 117.009 -0.087 . . . . 0.0 111.232 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 80.9 -1.31 1.81 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.844 0.858 . . . . 0.0 111.76 -177.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -128.76 138.05 51.89 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 120.661 0.267 . . . . 0.0 110.56 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.444 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 16.1 t60 -67.22 -37.41 83.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.029 -178.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m -61.06 -44.81 96.82 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.103 0.478 . . . . 0.0 109.864 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -67.7 -33.87 75.77 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.257 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.444 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 30.9 t80 -57.88 -48.19 80.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.168 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.4 tp -66.29 -31.93 73.03 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-O 121.086 0.469 . . . . 0.0 111.345 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -79.8 -9.83 59.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.177 0.513 . . . . 0.0 111.265 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.422 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -91.19 -10.21 42.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.597 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.2 tp -58.43 -43.68 88.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.462 -174.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 47.44 -137.45 0.79 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.819 0.448 . . . . 0.0 111.886 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 62.18 26.85 16.14 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.94 0.896 . . . . 0.0 111.729 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -112.4 80.78 1.38 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.993 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 67.38 29.89 74.69 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.679 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.4 m -85.49 89.11 7.61 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.131 0.491 . . . . 0.0 110.953 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.9 mt -108.19 128.11 63.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.137 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -132.4 133.22 43.65 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.367 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.0 t 63.44 13.55 7.23 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.004 0.521 . . . . 0.0 111.63 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.15 10.07 55.01 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.307 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.76 148.41 47.23 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.989 0.394 . . . . 0.0 110.722 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.46 125.85 35.71 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.174 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 49.5 pt -91.86 145.85 7.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.028 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.33 129.46 9.9 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.183 -1.008 . . . . 0.0 112.023 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 56.2 m -130.86 111.8 12.43 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.5 m -139.75 164.81 35.51 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.683 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.53 157.49 61.62 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.36 2.04 . . . . 0.0 110.17 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.427 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 52.5 t80 -59.76 117.01 4.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.901 0.381 . . . . 0.0 111.044 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.45 ' O ' HD12 ' A' ' 111' ' ' ILE . 2.1 mptm? -116.05 135.72 53.69 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 174.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -64.09 -40.5 96.36 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.129 0.49 . . . . 0.0 110.463 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.53 -39.98 92.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.286 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.453 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 59.5 tp -61.93 -46.86 87.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 110.658 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 107' ' ' LYS . 1.7 mp -62.87 -40.73 89.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.542 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.473 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 6.7 t -58.56 -47.54 83.87 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.068 178.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.88 -39.76 87.61 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.141 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 92.6 mt -62.64 -38.92 92.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.999 0.428 . . . . 0.0 110.765 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.3 t -65.19 -40.56 94.41 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.908 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 112' ' ' SER . 21.1 mmm180 -66.44 -53.08 39.56 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.701 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 42.0 tt0 50.06 38.95 17.98 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.807 0.843 . . . . 0.0 110.971 -177.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.26 -45.14 1.59 Allowed Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.453 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.8 t60 56.33 28.47 13.47 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.778 0.799 . . . . 0.0 110.003 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -82.4 32.56 0.4 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.515 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 62.31 -101.54 0.1 Allowed 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.536 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -178.7 164.43 1.57 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -65.77 -32.91 74.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.97 0.414 . . . . 0.0 111.039 177.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 . . . . . 0 C--N 1.317 -0.84 0 CA-C-O 118.233 -0.889 . . . . 0.0 109.467 177.774 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 tmm? . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 p -157.58 -21.01 0.09 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.36 -43.66 97.05 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.754 0.311 . . . . 0.0 111.415 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.07 163.62 39.86 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.135 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -82.47 -21.08 35.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.752 0.31 . . . . 0.0 110.617 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 52.05 56.3 7.97 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.474 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 p -106.6 69.8 0.79 Allowed 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.816 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -73.63 -45.49 52.6 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 121.807 0.813 . . . . 0.0 109.705 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.6 m -92.56 -69.21 0.76 Allowed 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 114.561 -1.199 . . . . 0.0 110.436 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.49 -97.42 0.24 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.398 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -120.22 22.98 11.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.086 0.469 . . . . 0.0 111.258 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.25 144.2 27.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.211 177.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -132.87 160.36 42.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.882 0.372 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.4 t -106.15 117.76 52.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.531 ' HA ' ' O ' ' A' ' 102' ' ' GLY . 21.5 t -109.56 130.45 62.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -141.81 167.83 21.21 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.36 -7.95 12.36 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -128.35 167.96 16.22 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.637 0.256 . . . . 0.0 110.662 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.406 ' O ' HG13 ' A' ' 22' ' ' ILE . 33.2 ptt-85 -120.86 158.56 27.35 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.526 -177.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -73.31 84.3 1.42 Allowed 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.05 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.418 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 19' ' ' ARG . 2.8 pp -89.79 27.35 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.524 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.9 m -43.6 -69.3 0.14 Allowed 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 124.404 1.082 . . . . 0.0 112.899 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.485 ' HG3' ' CD ' ' A' ' 43' ' ' GLU . 1.5 mptm? -61.48 -34.03 74.79 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -175.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -58.41 -68.66 0.23 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.998 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.6 tt -70.56 -27.1 29.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.784 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.514 HD13 ' NH2' ' A' ' 51' ' ' ARG . 40.5 tp -61.28 -37.43 83.13 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -178.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.14 -28.01 16.4 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -93.99 -47.52 6.67 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.444 ' CB ' HD13 ' A' ' 36' ' ' ILE . 69.2 m-85 -87.31 -8.5 56.64 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -173.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' A' ' 51' ' ' ARG . . . -60.39 -25.79 66.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.617 0.246 . . . . 0.0 111.113 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -63.01 -31.86 73.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.993 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -88.95 -44.21 10.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.478 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.425 ' HA2' ' HB3' ' A' ' 51' ' ' ARG . . . 169.57 -178.71 42.46 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.093 -1.051 . . . . 0.0 113.243 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.456 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 2.0 pm0 -75.19 150.77 38.59 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 122.944 0.498 . . . . 0.0 110.22 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.444 HD13 ' CB ' ' A' ' 30' ' ' PHE . 61.0 mt -120.67 -83.51 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -174.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 mt -67.17 -75.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.347 -173.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.436 ' HA ' ' CG2' ' A' ' 66' ' ' ILE . 41.6 tt0 -175.89 39.83 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -59.57 136.64 58.04 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.024 -1.444 . . . . 0.0 112.965 -175.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.429 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -97.26 -20.84 17.62 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.2 -178.13 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -120.99 138.13 54.31 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.408 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 65.8 p -71.16 -23.91 62.15 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -177.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.485 ' CD ' ' HG3' ' A' ' 24' ' ' LYS . 63.3 mm-40 68.25 2.89 3.44 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.53 0.518 . . . . 0.0 111.971 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.3 mt -115.39 -46.89 2.86 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-O 120.848 0.356 . . . . 0.0 111.196 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.16 -58.81 4.94 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -106.35 152.68 23.26 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.507 ' O ' HG21 ' A' ' 47' ' ' THR . 26.5 m 69.93 14.55 7.91 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 122.4 1.095 . . . . 0.0 110.197 -178.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.42 -23.93 67.46 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.382 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 p -80.21 0.76 31.08 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.266 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 58.5 ttp -100.4 -1.29 36.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.092 0.472 . . . . 0.0 109.995 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.514 ' NH2' HD13 ' A' ' 27' ' ' LEU . 56.4 mtp180 -73.64 140.68 46.31 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.675 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.565 ' HB ' ' CD ' ' A' ' 53' ' ' PRO . 4.8 p 53.51 176.43 0.03 OUTLIER Pre-proline 0 CA--C 1.559 1.305 0 C-N-CA 123.919 0.888 . . . . 0.0 112.8 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.565 ' CD ' ' HB ' ' A' ' 52' ' ' THR . 16.6 Cg_exo -69.74 20.18 0.18 Allowed 'Trans proline' 0 C--N 1.364 1.344 0 C-N-CA 122.698 2.266 . . . . 0.0 113.615 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 52' ' ' THR . . . 119.82 42.28 0.53 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.566 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -125.66 -178.48 4.27 Favored 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.06 153.87 48.12 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.408 ' CE1' ' HB3' ' A' ' 42' ' ' SER . 54.9 p90 -76.85 4.05 10.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.601 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -46.66 103.5 0.04 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.813 0.696 . . . . 0.0 111.361 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 63' ' ' ARG . 87.3 mm-40 -63.72 -45.94 87.68 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.16 -178.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.403 ' HB3' ' HD2' ' A' ' 61' ' ' PRO . . . 65.01 159.18 0.12 Allowed Pre-proline 0 C--N 1.315 -0.891 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.93 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 60' ' ' ALA . 62.6 Cg_endo -73.73 5.65 3.26 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 122.046 1.831 . . . . 0.0 112.771 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -144.7 89.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -157.68 135.93 11.03 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.587 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.14 -9.12 37.48 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 121.578 0.704 . . . . 0.0 109.51 175.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -171.05 170.34 6.23 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.603 -1.181 . . . . 0.0 109.749 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.53 HD12 ' NH1' ' A' ' 68' ' ' ARG . 40.9 pt -64.24 -43.13 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.096 0.474 . . . . 0.0 110.238 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.437 ' N ' HG13 ' A' ' 66' ' ' ILE . 35.9 t 174.63 -42.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.58 ' NH1' HG22 ' A' ' 75' ' ' THR . 1.9 ttp-105 -95.14 143.47 26.55 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.996 177.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.435 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 42.2 tt0 -86.42 149.72 24.81 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -146.24 132.5 19.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.336 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.15 -51.21 0.95 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.492 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -122.65 -143.1 0.33 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.798 0.333 . . . . 0.0 110.371 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 p -77.79 36.02 0.21 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 58.6 p-90 -128.56 136.62 50.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.06 0.457 . . . . 0.0 111.506 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.58 HG22 ' NH1' ' A' ' 68' ' ' ARG . 96.6 m -136.56 120.92 18.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.819 178.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.423 ' O ' ' HD3' ' A' ' 68' ' ' ARG . 40.0 ttpt -86.48 117.22 25.13 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 tt -106.78 123.79 48.66 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -177.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.4 m -95.4 96.34 9.05 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.411 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.537 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 70.3 m-85 -70.21 -42.39 72.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.799 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.67 -44.72 0.59 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.502 0.721 . . . . 0.0 111.517 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.612 ' ND2' ' HB2' ' A' ' 84' ' ' SER . 0.2 OUTLIER -74.27 126.6 31.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.075 0.464 . . . . 0.0 110.747 176.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.433 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 49.6 t-80 -66.73 -39.21 87.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.13 -176.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.5 t -60.03 -44.5 94.58 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 120.7 0.286 . . . . 0.0 111.46 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.612 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 21.3 m -78.47 -17.4 56.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.619 0.247 . . . . 0.0 110.876 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 82.2 t80 -61.18 -47.17 87.4 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.25 -39.32 92.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.267 0.556 . . . . 0.0 110.634 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -59.96 -29.74 68.62 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.868 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.24 -13.53 60.79 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.68 -2.7 37.37 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -62.27 36.17 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.355 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -81.49 75.6 8.44 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -137.07 -70.51 0.45 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.208 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -122.47 29.01 5.59 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.835 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.2 m -92.69 93.87 8.71 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.161 0.505 . . . . 0.0 110.913 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.6 mt -113.37 127.17 70.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.104 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -132.01 135.84 46.82 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 30.7 t 64.17 16.88 10.34 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.313 0.578 . . . . 0.0 110.99 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.27 6.86 64.29 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.365 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.71 146.27 52.15 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.811 0.305 . . . . 0.0 110.931 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.5 124.82 33.86 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.8 pt -84.99 132.45 31.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 121.102 0.477 . . . . 0.0 110.498 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.531 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -99.44 146.0 17.79 Favored Glycine 0 N--CA 1.441 -1.032 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.848 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 65.5 m -143.33 111.57 6.21 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.905 0.383 . . . . 0.0 110.329 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.9 m -119.63 153.63 54.35 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.495 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.3 45.92 1.49 Allowed 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.242 2.628 . . . . 0.0 112.697 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 63.9 t80 58.7 111.72 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.202 1.001 . . . . 0.0 112.579 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.425 ' O ' HG12 ' A' ' 111' ' ' ILE . 99.6 mttt -123.87 129.91 51.75 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.849 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -65.07 -33.73 76.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.286 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -66.18 -38.97 89.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.328 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 57.2 tp -61.82 -42.01 98.49 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.869 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 107' ' ' LYS . 44.3 mm -62.45 -43.04 97.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.942 179.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.4 m -61.57 -44.99 96.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -64.96 -42.66 94.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.777 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 94.9 mt -63.48 -43.36 97.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.908 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.2 p -69.81 -37.51 76.28 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.77 -40.53 92.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 46.82 25.13 0.41 Allowed 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 124.706 1.203 . . . . 0.0 113.175 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -159.19 138.73 5.8 Favored Glycine 0 N--CA 1.425 -2.036 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -132.0 150.22 52.21 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 120.696 0.284 . . . . 0.0 110.237 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -92.99 102.79 15.14 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.974 0.416 . . . . 0.0 111.009 -177.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -136.31 25.16 3.22 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.698 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -65.59 -66.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.897 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -165.85 142.85 5.4 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 52.7 t60 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.755 -0.641 . . . . 0.0 109.981 178.473 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.0 mmm . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -91.72 122.46 34.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.012 0.434 . . . . 0.0 110.822 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.86 -40.48 95.21 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.024 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.34 130.12 46.3 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 121.051 -0.595 . . . . 0.0 113.132 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 p -86.56 167.68 14.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.795 0.331 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -92.56 7.91 41.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.284 0.564 . . . . 0.0 110.363 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.6 t -130.67 96.95 4.23 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -106.14 2.77 27.31 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.939 -178.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 84.8 m 71.74 -58.99 0.57 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.89 0.876 . . . . 0.0 112.285 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.48 -142.11 34.86 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.382 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.55 12.03 37.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.402 0.62 . . . . 0.0 109.525 -179.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.32 140.34 30.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.314 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -125.57 159.25 33.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -114.98 124.32 71.53 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.3 t -110.99 125.11 68.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -134.73 165.92 24.15 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 120.804 0.335 . . . . 0.0 111.548 -177.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.97 -6.56 10.25 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.181 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -132.11 -176.84 4.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.958 0.409 . . . . 0.0 111.145 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.88 163.82 30.5 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.658 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -74.28 89.81 2.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.35 0.595 . . . . 0.0 109.811 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.07 -32.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.269 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 pp -86.66 19.91 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.721 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.403 ' O ' ' HB3' ' A' ' 27' ' ' LEU . 22.0 m -51.49 -49.42 61.89 Favored 'General case' 0 C--O 1.206 -1.213 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -56.77 -35.43 68.65 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -175.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -75.95 -68.73 0.55 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.2 mt -64.87 -30.0 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -175.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 44.7 tp -59.86 -44.47 94.12 Favored 'General case' 0 C--O 1.205 -1.248 0 C-N-CA 121.249 -0.18 . . . . 0.0 110.692 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.69 84.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.943 0.401 . . . . 0.0 110.843 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -63.46 -48.21 78.62 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.08 -178.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -94.2 -7.92 40.83 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.682 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -65.18 -4.26 4.84 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.043 0.449 . . . . 0.0 111.523 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -58.86 -35.7 73.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.085 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' A' ' 50' ' ' MET . 2.4 p90 -135.47 9.62 3.42 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.429 -177.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.682 ' O ' ' HA ' ' A' ' 31' ' ' ALA . . . -172.84 -162.32 24.75 Favored Glycine 0 C--O 1.224 -0.501 0 C-N-CA 119.957 -1.116 . . . . 0.0 112.861 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -142.82 147.06 34.83 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.1 mt -138.02 153.46 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.699 0.285 . . . . 0.0 111.324 -176.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 mp 68.76 -176.1 0.2 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.626 0.77 . . . . 0.0 111.737 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -118.77 32.47 6.12 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.401 ' O ' HG21 ' A' ' 23' ' ' THR . 22.6 t70 -143.56 141.67 30.78 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.8 mt -133.1 -77.73 0.49 Allowed 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.454 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 68.72 -66.34 0.25 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.128 0.971 . . . . 0.0 111.359 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.1 m -154.16 89.51 1.29 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' A' ' 43' ' ' GLU . 1.1 mp0 -79.37 -73.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.085 0.469 . . . . 0.0 110.188 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 46' ' ' ASP . 1.1 pp -154.72 161.03 41.7 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.748 179.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.94 4.22 22.55 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.147 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.465 ' O ' HD12 ' A' ' 44' ' ' LEU . 34.6 t70 -132.48 158.54 41.82 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.44 HG21 ' OD2' ' A' ' 46' ' ' ASP . 81.3 p 57.81 18.6 5.01 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.55 0.74 . . . . 0.0 112.645 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -83.7 -7.76 59.41 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.024 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 47.5 p -84.57 -6.95 59.4 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.44 ' O ' ' HA ' ' A' ' 33' ' ' PHE . 91.6 mmm -102.99 13.24 34.79 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -177.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.455 ' HB2' ' HA ' ' A' ' 56' ' ' PHE . 97.0 mtt180 -75.48 123.56 25.65 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.519 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.492 ' HB ' ' CD ' ' A' ' 53' ' ' PRO . 7.3 p 57.16 175.63 0.04 OUTLIER Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 124.157 0.983 . . . . 0.0 112.053 177.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.492 ' CD ' ' HB ' ' A' ' 52' ' ' THR . 3.8 Cg_exo -76.35 26.07 0.42 Allowed 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 122.581 2.188 . . . . 0.0 114.036 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.95 -23.09 0.39 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 119.134 -1.508 . . . . 0.0 115.334 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -106.66 110.19 22.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 117.789 0.795 . . . . 0.0 111.44 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.455 ' HA ' ' HB2' ' A' ' 51' ' ' ARG . 29.3 m-85 -65.1 -72.28 0.16 Allowed 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.52 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -170.91 129.89 0.78 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.819 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -104.0 121.96 44.23 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.002 0.43 . . . . 0.0 110.958 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -98.11 14.4 27.71 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.3 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.36 159.2 12.29 Favored Pre-proline 0 CA--C 1.537 0.468 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.294 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.41 -21.19 66.62 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 122.689 2.259 . . . . 0.0 113.61 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -126.16 89.47 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.169 0.509 . . . . 0.0 110.654 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.66 ' O ' ' HD2' ' A' ' 63' ' ' ARG . 4.1 ppt_? -159.72 147.29 16.89 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.933 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.52 ' HA ' ' NE ' ' A' ' 64' ' ' ARG . 5.2 mmp_? -113.84 22.77 13.67 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.32 178.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 51.74 -94.57 0.03 OUTLIER 'General case' 0 C--N 1.345 0.405 0 C-N-CA 124.125 0.97 . . . . 0.0 111.926 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.3 tt -63.73 -42.2 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.515 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.9 t 57.62 26.55 13.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.763 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -125.87 153.55 43.99 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.185 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -74.74 139.57 43.49 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.286 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.3 p-80 -144.34 164.85 29.58 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.304 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.06 -138.14 8.19 Favored Glycine 0 N--CA 1.438 -1.224 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -101.51 -46.45 4.98 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 120.907 0.384 . . . . 0.0 111.302 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 p -112.13 2.85 16.92 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.611 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -138.33 145.77 41.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.843 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.0 m -127.82 126.79 42.33 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.444 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -97.49 108.83 21.63 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 pp -126.77 140.18 52.57 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.433 0.635 . . . . 0.0 112.061 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.422 HG22 ' H ' ' A' ' 80' ' ' ALA . 33.2 m -112.43 125.38 54.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.341 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -87.98 -7.42 57.12 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.682 0.277 . . . . 0.0 110.804 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.422 ' H ' HG22 ' A' ' 78' ' ' THR . . . 65.03 14.88 9.66 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.203 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -145.55 163.92 33.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.187 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -93.9 -20.38 20.09 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 120.74 0.305 . . . . 0.0 110.986 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.4 m -60.64 -45.71 93.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.322 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.3 t -87.02 -16.49 35.52 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.644 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -60.38 -52.47 65.1 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.597 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.7 -40.26 72.99 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.074 0.464 . . . . 0.0 111.883 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -63.49 -38.39 90.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.675 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.94 -19.99 65.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.08 -5.12 24.63 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -51.5 127.66 20.72 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -126.23 -119.97 0.26 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.492 -0.776 . . . . 0.0 108.965 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 54.66 -96.47 0.06 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.381 0.672 . . . . 0.0 112.756 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.81 8.12 59.54 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.62 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.4 m -74.91 85.44 2.24 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.607 0.717 . . . . 0.0 109.787 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.7 mt -113.65 124.29 70.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.001 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -126.84 134.9 50.43 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.4 t 62.77 19.85 11.73 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.24 0.543 . . . . 0.0 110.832 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.28 14.2 64.49 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.114 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.87 146.87 38.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.969 0.385 . . . . 0.0 110.661 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.17 138.98 50.03 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 57.3 mt -84.49 128.28 39.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.77 99.6 2.09 Favored Glycine 0 N--CA 1.433 -1.513 0 C-N-CA 120.261 -0.971 . . . . 0.0 112.352 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 58.9 m -111.43 110.08 20.36 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.7 m -136.75 158.49 72.97 Favored Pre-proline 0 C--N 1.315 -0.916 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.024 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.85 152.93 76.17 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.358 2.039 . . . . 0.0 111.06 176.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -56.72 127.65 32.56 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.131 0.491 . . . . 0.0 111.612 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -133.63 137.96 45.68 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -67.92 -40.9 83.3 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.079 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 113' ' ' GLU . 43.2 tt0 -66.47 -35.27 79.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.759 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.85 -42.55 93.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.834 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.5 mm -61.43 -47.28 94.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.646 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.444 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 9.0 p -65.1 -39.33 92.98 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 60.8 mm-40 -63.14 -50.14 71.62 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 120.896 0.379 . . . . 0.0 110.978 -177.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.46 -37.21 86.75 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 56.6 m -64.88 -14.66 60.35 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 112' ' ' SER . 60.4 mtt180 -91.62 -0.31 57.57 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.519 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 63.97 20.35 12.16 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.342 0.657 . . . . 0.0 111.555 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 129.42 112.69 1.6 Allowed Glycine 0 N--CA 1.433 -1.559 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -178.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -87.35 85.09 7.13 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-O 120.998 0.428 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.457 ' CG ' ' H ' ' A' ' 121' ' ' HIS . 18.4 t-80 49.84 -131.58 1.87 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.134 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.457 ' H ' ' CG ' ' A' ' 120' ' ' HIS . 64.9 m80 -147.53 163.46 36.5 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -88.43 88.25 7.56 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.049 0.452 . . . . 0.0 110.38 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' A' ' 121' ' ' HIS . 54.0 m80 -98.21 78.1 2.45 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 176.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.671 -178.215 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 120.426 0.155 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -152.22 135.43 15.82 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.741 0.305 . . . . 0.0 111.045 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -116.51 144.78 43.92 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.39 132.51 11.14 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.748 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -78.14 144.93 36.0 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -81.43 -13.02 58.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.523 0.678 . . . . 0.0 110.036 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.8 m -134.96 93.46 3.01 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.91 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -73.82 -7.01 50.55 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.314 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 11' ' ' ASN . 24.7 m 72.78 -39.1 0.44 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.254 1.022 . . . . 0.0 112.286 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.34 17.59 4.01 Favored Glycine 0 C--O 1.223 -0.563 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.271 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 9' ' ' THR . 11.2 m120 -96.83 4.5 51.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.488 0.661 . . . . 0.0 109.317 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.19 145.16 38.99 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.764 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.2 m -118.42 155.21 20.51 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.54 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.8 t -115.2 126.76 72.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.3 t -115.13 132.24 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.117 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -141.38 164.96 28.82 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.007 -178.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.16 -10.06 9.47 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.86 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -121.03 -173.27 2.57 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.478 0.18 . . . . 0.0 111.069 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.69 ' O ' HG13 ' A' ' 22' ' ' ILE . 43.0 ttp180 -137.34 169.32 17.98 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.33 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.68 -29.34 66.54 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.122 0.569 . . . . 0.0 112.385 -177.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.41 -14.0 61.52 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.69 HG13 ' O ' ' A' ' 19' ' ' ARG . 2.6 pp -107.33 13.82 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.544 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 92.7 m -50.64 -46.31 58.27 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -176.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -54.07 -36.29 62.98 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 123.381 0.426 . . . . 0.0 111.669 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -71.5 -57.18 4.66 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.3 mm -68.03 -22.43 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 121.572 0.701 . . . . 0.0 110.644 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 23' ' ' THR . 34.2 tp -60.33 -41.73 94.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.675 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.55 78.6 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -92.41 -72.36 0.6 Allowed 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -69.35 -37.68 77.76 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.52 ' CB ' HD13 ' A' ' 27' ' ' LEU . . . -79.68 -3.74 48.66 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -59.87 -30.84 69.26 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.239 0.543 . . . . 0.0 109.979 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -116.48 7.25 13.71 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.175 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.79 -138.87 2.5 Favored Glycine 0 C--O 1.224 -0.478 0 C-N-CA 119.639 -1.267 . . . . 0.0 113.91 -176.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.572 ' OE2' ' HA ' ' A' ' 66' ' ' ILE . 44.1 tt0 -143.43 142.66 31.3 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -177.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.489 HG12 ' HB3' ' A' ' 31' ' ' ALA . 8.7 mm -123.44 -80.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.392 -178.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 mp -114.61 -175.65 2.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.985 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -95.22 -177.49 4.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.899 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.2 t70 70.38 83.36 0.15 Allowed 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.719 0.771 . . . . 0.0 109.402 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -104.91 -60.15 1.64 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.326 -0.852 . . . . 0.0 113.27 -171.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 54.62 -128.38 2.25 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -171.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.8 m -78.87 88.29 4.69 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 173.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.54 ' HB2' ' NH2' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -70.03 -58.25 4.05 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -172.322 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.512 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 95.5 mt -131.28 -51.19 1.01 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 120.965 0.412 . . . . 0.0 110.54 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.73 104.97 1.93 Allowed Glycine 0 N--CA 1.438 -1.175 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.591 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 76.54 -41.05 0.4 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.784 0.834 . . . . 0.0 112.667 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.9 p -83.53 7.71 16.31 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.118 0.961 . . . . 0.0 110.855 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.64 -31.75 70.95 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.309 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.9 p -84.36 10.68 10.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.688 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 86.1 mtp -105.66 6.74 32.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.54 ' NH2' ' HB2' ' A' ' 43' ' ' GLU . 93.2 mtt-85 -82.76 107.5 15.43 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.861 -175.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.0 p 46.32 88.73 0.1 OUTLIER Pre-proline 0 N--CA 1.476 0.868 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.88 118.47 5.35 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.318 2.012 . . . . 0.0 111.888 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.26 -36.43 3.06 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.655 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -131.61 93.55 3.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.07 0.462 . . . . 0.0 111.147 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -107.46 160.61 15.52 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.433 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -122.08 168.44 11.95 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.663 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -134.87 172.65 12.68 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.407 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 37.6 tt0 -88.25 -138.41 0.11 Allowed 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.5 ' HB3' ' HD2' ' A' ' 61' ' ' PRO . . . 71.36 164.35 0.14 Allowed Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 122.691 0.396 . . . . 0.0 110.749 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.5 ' HD2' ' HB3' ' A' ' 60' ' ' ALA . 25.0 Cg_endo -61.83 151.02 83.58 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 121.94 1.76 . . . . 0.0 111.92 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.2 m120 64.92 25.33 12.77 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.453 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.67 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -78.72 -22.98 45.78 Favored 'General case' 0 CA--C 1.486 -1.488 0 CA-C-O 121.118 0.485 . . . . 0.0 110.566 178.777 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.67 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 1.2 mmp_? 59.0 176.7 0.07 Allowed 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.718 -173.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.96 146.08 47.49 Favored 'General case' 0 C--N 1.278 -2.525 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 174.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.572 ' HA ' ' OE2' ' A' ' 35' ' ' GLU . 20.3 tt 53.53 122.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.559 1.144 . . . . 0.0 113.025 -175.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.9 m -76.24 -2.31 30.76 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.833 -175.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.503 ' H ' HG12 ' A' ' 66' ' ' ILE . 43.0 mtm-85 -126.1 155.67 41.24 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.944 -178.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -74.23 125.5 28.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.932 0.396 . . . . 0.0 110.142 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -123.1 166.99 14.25 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.985 -177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.26 -150.46 24.77 Favored Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.517 ' NH2' ' HB2' ' A' ' 117' ' ' GLU . 89.5 mtm-85 -89.61 -55.95 3.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.973 0.416 . . . . 0.0 111.632 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 p -112.12 11.55 20.4 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.44 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.9 p-90 -139.58 148.37 42.44 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.241 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 t -143.33 147.52 34.83 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' A' ' 68' ' ' ARG . 65.7 pttt -95.79 133.55 39.78 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.264 -0.575 . . . . 0.0 109.94 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.9 mt -104.9 116.25 31.67 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.278 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.8 m -110.68 111.48 22.7 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.443 ' HB3' ' OG ' ' A' ' 84' ' ' SER . 53.8 m-85 -101.06 -2.24 32.11 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -177.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 67.44 -55.47 0.47 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.546 0.738 . . . . 0.0 112.261 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -83.63 141.83 31.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.891 0.377 . . . . 0.0 110.454 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.401 ' HA ' ' HB3' ' A' ' 85' ' ' TYR . 48.9 t60 -66.85 -34.09 77.04 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.672 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.2 p -60.84 -46.92 88.65 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.499 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.443 ' OG ' ' HB3' ' A' ' 79' ' ' TYR . 8.3 p -74.44 -32.34 62.59 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 177.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.401 ' HB3' ' HA ' ' A' ' 82' ' ' HIS . 45.5 t80 -59.39 -48.05 83.12 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.624 178.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 89' ' ' LEU . 51.2 tp -63.28 -39.06 93.53 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-O 120.747 0.308 . . . . 0.0 111.534 -177.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 77.9 mtt85 -68.39 -18.24 64.41 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.66 -12.58 60.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.833 0.349 . . . . 0.0 111.025 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 4.0 mm? -70.29 -3.94 19.59 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.55 0.74 . . . . 0.0 112.898 -178.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 87' ' ' ARG . 44.2 mmt180 -31.37 100.03 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.006 0.922 . . . . 0.0 113.469 -179.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -165.24 78.3 0.3 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -128.42 37.46 4.13 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.62 23.42 50.44 Favored Glycine 0 N--CA 1.439 -1.107 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -175.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.494 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 25.0 m -65.29 106.13 1.28 Allowed 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.143 -0.529 . . . . 0.0 110.464 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.5 mt -93.09 120.63 42.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.157 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -142.54 135.27 28.14 Favored 'General case' 0 N--CA 1.438 -1.074 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 98.1 m 69.41 16.63 8.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.895 0.379 . . . . 0.0 111.511 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.33 -9.24 53.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.853 -0.689 . . . . 0.0 113.931 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -145.37 161.25 40.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.089 0.445 . . . . 0.0 110.696 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.494 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -74.98 132.17 41.18 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.154 177.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 41.5 pt -87.19 131.79 34.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.923 0.392 . . . . 0.0 110.456 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.66 124.4 8.22 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.67 -176.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 34.8 t -125.19 126.35 45.09 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.942 0.401 . . . . 0.0 110.814 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.7 m -141.66 158.12 63.59 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -61.22 152.5 71.62 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.452 2.101 . . . . 0.0 111.568 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -58.78 117.83 5.04 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.217 0.532 . . . . 0.0 111.102 -177.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.543 ' O ' HG12 ' A' ' 111' ' ' ILE . 98.1 mttt -131.0 139.08 49.93 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.089 177.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -60.43 -41.02 93.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.779 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -63.59 -42.2 98.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.955 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.506 ' O ' HD13 ' A' ' 114' ' ' LEU . 34.7 tp -61.14 -45.35 95.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.238 0.542 . . . . 0.0 110.019 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 107' ' ' LYS . 47.0 mm -62.75 -43.33 98.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.57 -179.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.3 m -61.04 -46.55 90.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.873 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.9 -47.2 75.58 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.132 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 110' ' ' LEU . 10.9 mp -64.32 -41.87 96.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 59.3 m -63.78 -41.91 97.85 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.973 0.416 . . . . 0.0 111.317 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -71.54 -22.62 61.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.972 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.517 ' HB2' ' NH2' ' A' ' 72' ' ' ARG . 0.7 OUTLIER 62.76 69.05 0.61 Allowed 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.822 -179.025 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -82.04 73.21 2.67 Favored Glycine 0 N--CA 1.438 -1.211 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.621 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -65.31 -42.99 92.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -73.47 -31.6 63.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.837 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -60.24 -51.78 68.09 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.163 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 177.24 110.83 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.477 0.486 . . . . 0.0 110.98 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -113.83 -37.77 4.43 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.186 0.517 . . . . 0.0 110.204 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.252 1.21 0 CA-C-O 118.56 -0.733 . . . . 0.0 109.464 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mmm . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -63.34 158.14 21.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.729 0.299 . . . . 0.0 111.072 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.13 131.67 47.15 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.618 -178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.58 -100.27 2.62 Favored Glycine 0 N--CA 1.438 -1.214 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -132.91 150.05 52.19 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -87.55 70.41 9.8 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.9 t 71.71 85.93 0.12 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.062 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -70.62 -54.8 10.57 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.862 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.8 m 60.26 84.6 0.12 Allowed 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.381 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.77 -90.52 0.74 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.628 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -90.03 2.51 55.1 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.52 130.51 37.06 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.787 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -126.06 160.1 33.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.6 t -112.64 118.03 56.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 102' ' ' GLY . 45.3 t -113.89 126.38 71.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -142.36 168.83 18.8 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.391 -177.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.58 -11.35 10.37 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.195 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -113.74 -172.38 2.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.438 0.161 . . . . 0.0 110.863 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.605 ' O ' HG13 ' A' ' 22' ' ' ILE . 23.0 ptt180 -135.72 173.67 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.896 0.379 . . . . 0.0 111.29 -176.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.5 -38.61 84.57 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.387 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.6 -14.06 48.02 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -174.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.605 HG13 ' O ' ' A' ' 19' ' ' ARG . 2.6 pp -97.29 27.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 122.108 -0.37 . . . . 0.0 111.46 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.626 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 30.6 m -44.26 -71.45 0.08 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 40' ' ' LEU . 3.6 mptp? -60.13 -29.48 68.66 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -176.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HB3' ' CE1' ' A' ' 96' ' ' TYR . 81.1 mt-30 -60.77 -71.36 0.14 Allowed 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -177.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.3 mt -68.89 -23.41 27.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 CA-C-O 120.92 0.39 . . . . 0.0 111.744 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.626 ' HB2' ' O ' ' A' ' 23' ' ' THR . 25.9 tp -58.81 -46.49 87.49 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.289 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.01 70.23 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.477 ' HD2' ' CD2' ' A' ' 30' ' ' PHE . 86.6 t80 -85.64 -48.27 9.04 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.477 ' CD2' ' HD2' ' A' ' 29' ' ' TYR . 24.0 m-85 -85.8 -3.85 59.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -177.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 27' ' ' LEU . . . -38.19 -29.32 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.732 1.213 . . . . 0.0 114.073 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -56.96 -30.18 63.85 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.084 0.468 . . . . 0.0 110.866 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.455 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 96.5 m-85 -88.85 -43.79 10.95 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.976 178.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.481 ' O ' HG12 ' A' ' 36' ' ' ILE . . . 114.42 -95.81 0.75 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.643 -0.789 . . . . 0.0 114.102 175.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.546 ' O ' HD21 ' A' ' 77' ' ' LEU . 9.4 pt-20 -59.69 114.61 2.84 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-O 120.845 0.355 . . . . 0.0 111.607 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 34' ' ' GLY . 37.2 mm -134.4 -63.47 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 121.308 0.575 . . . . 0.0 110.543 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.498 ' CD1' ' HA ' ' A' ' 23' ' ' THR . 71.3 mt -132.33 -167.03 1.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.079 -177.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -59.78 -42.72 93.98 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.501 0.501 . . . . 0.0 111.551 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.495 ' OD1' HD22 ' A' ' 27' ' ' LEU . 21.9 t70 71.78 171.79 0.31 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.623 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 40.8 tp -115.33 -79.52 0.59 Allowed 'General case' 0 N--CA 1.433 -1.314 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.586 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -150.64 -40.42 0.13 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.956 0.408 . . . . 0.0 110.974 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -121.1 154.22 36.43 Favored 'General case' 0 N--CA 1.422 -1.841 0 CA-C-O 121.312 0.577 . . . . 0.0 109.723 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.462 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 43.6 tt0 -132.35 -57.92 0.95 Allowed 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.575 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.0 mt -105.15 -22.05 13.15 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.996 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.91 -33.36 5.79 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -143.44 158.65 43.47 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.4 t 50.11 23.34 1.11 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.093 0.957 . . . . 0.0 112.437 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -89.76 13.42 14.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.526 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.9 p -69.47 -32.97 72.2 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.072 0.463 . . . . 0.0 110.771 176.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 27.4 ttt -98.8 97.89 9.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.146 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.542 ' NH2' HD11 ' A' ' 27' ' ' LEU . 79.6 mtp180 -133.07 14.22 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.223 0.535 . . . . 0.0 110.016 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -155.89 163.3 25.21 Favored Pre-proline 0 C--N 1.311 -1.094 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.553 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -67.92 -16.24 45.11 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.458 2.105 . . . . 0.0 112.327 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.54 139.16 3.74 Favored Glycine 0 N--CA 1.417 -2.592 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 77.09 167.89 0.24 Allowed 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 124.165 0.986 . . . . 0.0 110.925 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -99.44 -179.76 4.32 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.212 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -95.04 141.37 28.76 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.41 ' HB2' HH21 ' A' ' 65' ' ' ARG . 97.7 mt-30 -111.73 116.93 31.54 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -64.29 -39.86 94.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.714 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.42 ' HB3' ' HD2' ' A' ' 61' ' ' PRO . . . 65.57 161.18 0.13 Allowed Pre-proline 0 CA--C 1.548 0.867 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.173 -179.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' A' ' 60' ' ' ALA . 53.7 Cg_endo -70.78 91.32 0.61 Allowed 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 121.82 1.68 . . . . 0.0 112.411 178.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.0 t30 56.94 54.76 6.74 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.704 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -132.49 149.56 52.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.663 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -94.48 18.9 10.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.174 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.41 HH21 ' HB2' ' A' ' 58' ' ' GLN . 0.7 OUTLIER -100.69 102.88 14.1 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.975 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.61 HG13 ' H ' ' A' ' 68' ' ' ARG . 29.1 pt -65.89 -45.49 91.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.131 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.542 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 22.2 t 155.96 -35.47 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.61 ' H ' HG13 ' A' ' 66' ' ' ILE . 12.1 mmm180 -80.93 152.87 27.84 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.209 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -74.28 125.73 29.08 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.84 -176.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -152.38 168.27 25.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.767 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.447 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -99.71 -78.82 1.4 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.193 -1.003 . . . . 0.0 112.147 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.496 HH21 ' CD ' ' A' ' 117' ' ' GLU . 29.9 ttp85 -169.8 -56.18 0.02 OUTLIER 'General case' 0 CA--C 1.495 -1.157 0 CA-C-O 121.603 0.716 . . . . 0.0 109.741 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.8 p -103.72 2.52 33.13 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.924 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.447 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 59.5 p-90 -142.11 144.18 33.39 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.414 -1.266 . . . . 0.0 108.891 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.5 m -126.29 126.85 44.65 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -84.96 108.25 17.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.546 HD21 ' O ' ' A' ' 35' ' ' GLU . 31.9 mt -92.77 116.57 29.14 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.064 -174.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.3 m -112.86 113.3 25.31 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.992 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -104.01 -15.52 15.58 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.08 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.06 6.07 5.43 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.233 0.613 . . . . 0.0 110.901 -176.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -127.32 142.89 51.33 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.723 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.494 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 69.6 t60 -87.78 -24.03 23.89 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.2 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.5 t -63.44 -41.49 98.66 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.061 0.457 . . . . 0.0 110.901 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.7 p -67.78 -20.05 65.16 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.574 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.494 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 57.9 t80 -60.0 -49.82 76.15 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.431 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.57 -41.32 88.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.109 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -63.75 -43.52 96.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.613 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.455 ' HB1' ' CE1' ' A' ' 33' ' ' PHE . . . -81.34 -12.87 58.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.79 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 85' ' ' TYR . 27.4 tp -67.15 -8.13 28.72 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.106 0.562 . . . . 0.0 112.222 -175.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 32.4 ptt-85 -72.72 87.89 1.28 Allowed 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -176.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -83.57 -35.66 24.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.45 0.643 . . . . 0.0 110.048 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -83.0 127.41 33.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.449 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.45 -4.66 66.97 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.822 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 m -109.78 87.57 2.54 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-O 121.249 0.547 . . . . 0.0 110.547 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.5 mt -112.39 118.84 58.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.937 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.433 ' CE1' ' HB3' ' A' ' 25' ' ' GLN . 12.6 t80 -126.46 134.32 50.99 Favored 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.8 t 62.13 25.46 15.25 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.222 0.534 . . . . 0.0 111.061 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.51 19.12 66.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.172 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -142.91 149.41 38.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.848 0.356 . . . . 0.0 111.084 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.44 126.41 41.61 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 46.1 pt -85.73 134.67 26.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-O 120.986 0.422 . . . . 0.0 110.22 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -99.21 110.96 4.11 Favored Glycine 0 N--CA 1.436 -1.332 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.51 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 35.6 m -104.88 101.38 10.97 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.7 m -124.61 157.92 63.84 Favored Pre-proline 0 C--N 1.311 -1.095 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.927 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -61.8 153.2 69.51 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 122.431 2.088 . . . . 0.0 111.086 177.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -61.78 98.7 0.1 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.222 0.534 . . . . 0.0 111.379 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.456 ' O ' HG12 ' A' ' 111' ' ' ILE . 68.2 mttm -97.98 129.55 44.86 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.472 177.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -65.8 -42.42 90.74 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -68.97 -35.22 76.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.649 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 52.0 tp -61.91 -39.8 93.28 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.858 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 107' ' ' LYS . 36.7 mm -61.56 -43.83 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.945 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.3 m -59.81 -41.28 90.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.928 0.394 . . . . 0.0 110.256 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 42.7 mm-40 -62.26 -44.77 95.78 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 4.0 pp -88.83 -13.99 38.02 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 -176.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 66.4 m -82.72 -8.82 59.57 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 113' ' ' GLU . 16.7 ptt-85 -77.34 7.08 5.71 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 119.992 -0.683 . . . . 0.0 111.833 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.496 ' CD ' HH21 ' A' ' 72' ' ' ARG . 45.2 tt0 -80.72 82.51 6.7 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 121.663 0.744 . . . . 0.0 109.362 177.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 176.1 -136.3 3.23 Favored Glycine 0 C--N 1.296 -1.663 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.634 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -134.39 140.64 46.44 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 120.857 0.361 . . . . 0.0 111.026 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -117.63 90.76 3.4 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.498 0.666 . . . . 0.0 109.956 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -135.19 8.56 3.45 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.352 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -87.8 130.58 34.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.053 0.454 . . . . 0.0 110.939 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -118.51 153.57 33.96 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.198 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 . . . . . 0 C--O 1.251 1.155 0 O-C-N 123.53 0.519 . . . . 0.0 110.593 -177.696 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.3 mtm . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m 51.79 68.42 0.81 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.706 0.629 . . . . 0.0 112.164 177.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.98 -40.1 87.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.679 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.58 165.58 10.47 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -146.09 151.64 38.02 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 120.832 0.349 . . . . 0.0 110.128 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -90.08 11.74 19.87 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 121.082 0.468 . . . . 0.0 110.419 176.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 m -76.9 -3.3 37.94 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 122.266 1.031 . . . . 0.0 109.004 175.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.71 ' OE1' ' HA ' ' A' ' 107' ' ' LYS . 34.2 mm-40 -103.32 101.06 10.97 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 113.618 -1.628 . . . . 0.0 106.8 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.2 p -51.82 -45.66 64.02 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.7 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.92 -42.26 2.05 Favored Glycine 0 C--O 1.221 -0.666 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.274 177.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -63.23 -38.74 92.34 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.077 0.465 . . . . 0.0 110.716 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.3 143.98 30.91 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.648 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -120.36 156.81 23.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 120.876 0.37 . . . . 0.0 110.794 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.4 t -110.23 118.0 56.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.8 t -110.19 128.63 66.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -143.77 168.82 19.02 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.871 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.38 6.73 56.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.768 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.416 ' HB2' HD12 ' A' ' 22' ' ' ILE . 47.3 p90 -106.46 156.76 18.21 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.886 0.374 . . . . 0.0 110.264 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.8 ttm-85 -108.4 148.56 29.95 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.577 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -74.75 67.36 1.59 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.691 0.757 . . . . 0.0 110.226 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.5 -36.09 0.13 Allowed 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.126 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.416 HD12 ' HB2' ' A' ' 18' ' ' TYR . 2.4 pp -82.86 30.2 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.204 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.708 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 55.9 m -46.71 -76.68 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -174.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -18.45 61.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.947 0.403 . . . . 0.0 111.269 -176.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.476 ' HB3' ' OH ' ' A' ' 96' ' ' TYR . 22.5 mp0 -63.62 -48.55 76.88 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.457 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.5 tt -96.49 -14.79 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-O 121.156 0.503 . . . . 0.0 110.86 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.708 ' HB2' ' O ' ' A' ' 23' ' ' THR . 11.4 tp -61.58 -41.88 98.06 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.755 -177.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -12.74 60.43 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -94.78 -63.35 1.18 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.795 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -89.63 -35.78 15.65 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.841 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -65.57 -8.45 20.02 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -171.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -61.43 -25.52 67.26 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 120.653 0.263 . . . . 0.0 111.086 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -128.63 15.99 6.46 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.365 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.841 ' O ' ' HA ' ' A' ' 31' ' ' ALA . . . 171.26 125.88 0.84 Allowed Glycine 0 C--O 1.22 -0.755 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.625 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -59.73 141.9 54.24 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.089 0.404 . . . . 0.0 112.089 -178.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.8 mm -110.58 -60.06 3.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.574 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.14 169.73 8.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.216 0.532 . . . . 0.0 111.796 -178.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.544 ' OE1' ' HA ' ' A' ' 64' ' ' ARG . 52.6 mt-10 -83.24 -22.63 33.05 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.807 -178.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -82.76 145.68 29.41 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.594 178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tt -172.07 109.75 0.25 Allowed 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -178.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -128.77 -73.4 0.58 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.659 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 p -122.48 108.72 13.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.852 0.358 . . . . 0.0 110.572 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' CD ' ' H ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -126.93 -66.58 0.89 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.769 -179.463 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.424 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 63.6 mt -99.72 -51.72 3.66 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 121.215 0.531 . . . . 0.0 110.479 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.84 -16.85 54.05 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.955 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -162.51 179.51 7.72 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.098 0.559 . . . . 0.0 109.963 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.552 ' O ' HG21 ' A' ' 47' ' ' THR . 27.4 m 71.08 26.59 3.47 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 122.109 0.957 . . . . 0.0 111.256 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -67.64 -27.4 66.84 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.571 176.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.3 p -64.72 -30.68 71.7 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.325 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.2 ttp -108.06 86.8 2.36 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -142.14 -83.91 0.18 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.938 -177.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -118.44 141.83 30.37 Favored Pre-proline 0 C--N 1.291 -1.955 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.25 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -61.51 119.5 6.66 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.092 1.861 . . . . 0.0 110.962 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.59 59.84 5.84 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.693 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -76.38 132.51 39.77 Favored 'General case' 0 N--CA 1.425 -1.681 0 CA-C-O 121.411 0.624 . . . . 0.0 110.915 -178.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -167.89 -70.56 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.756 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.1 p90 42.56 27.71 0.1 Allowed 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 70.39 -44.76 0.58 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.013 0.925 . . . . 0.0 112.019 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 62.6 31.54 16.81 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.913 0.863 . . . . 0.0 109.479 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.87 149.73 97.8 Favored Pre-proline 0 N--CA 1.447 -0.605 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.555 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.44 -29.19 83.64 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.599 2.2 . . . . 0.0 111.871 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -117.06 35.81 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.886 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.617 HH21 ' HA ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -62.28 137.83 58.32 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.188 0.518 . . . . 0.0 111.198 178.496 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.586 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 1.7 mmp_? -114.65 9.15 16.44 Favored 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.7 178.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -143.63 148.07 35.28 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.643 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.617 ' HA ' HH21 ' A' ' 63' ' ' ARG . 7.7 pt -100.08 -157.93 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 177.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.407 ' N ' HG13 ' A' ' 66' ' ' ILE . 49.8 m -58.02 -19.6 32.42 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 121.156 0.503 . . . . 0.0 111.3 177.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.605 ' H ' HG13 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -136.4 157.03 47.77 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 178.724 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.21 153.21 39.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.642 0.258 . . . . 0.0 111.063 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 75' ' ' THR . 51.6 p-80 -156.61 -177.88 6.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.016 -177.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.96 -159.1 9.47 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -76.04 128.73 35.63 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.934 0.397 . . . . 0.0 111.032 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.0 p 57.9 10.03 1.04 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 55.6 p-90 -143.79 140.34 29.84 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 120.746 0.307 . . . . 0.0 110.672 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.44 ' HA ' ' HB2' ' A' ' 70' ' ' HIS . 12.0 t -142.5 147.75 36.54 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.015 0.436 . . . . 0.0 111.098 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -109.48 118.59 37.02 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -126.14 148.29 49.43 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.31 0.576 . . . . 0.0 111.817 -176.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.2 m -111.67 117.67 33.53 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -86.47 -16.93 35.56 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.359 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.44 -63.82 0.41 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.651 0.781 . . . . 0.0 111.243 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.61 136.19 43.9 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.159 0.504 . . . . 0.0 111.041 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 85' ' ' TYR . 47.0 p-80 -68.66 -27.64 66.18 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.148 -178.245 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 m -60.65 -47.22 87.2 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.038 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -72.64 -35.01 67.67 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.362 0.601 . . . . 0.0 110.244 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.427 ' HB3' ' HA ' ' A' ' 82' ' ' HIS . 59.4 t80 -60.42 -52.38 65.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.494 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.5 tp -63.67 -36.77 84.94 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 121.13 0.491 . . . . 0.0 111.022 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.92 -25.42 67.57 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.675 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.83 -11.66 59.56 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.198 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.99 -7.0 52.37 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -68.24 118.53 11.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.088 0.47 . . . . 0.0 110.938 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -141.87 4.42 1.68 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.201 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -64.82 -45.85 84.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -144.19 26.42 2.02 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 119.963 -1.113 . . . . 0.0 112.991 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.3 m -89.61 97.92 11.47 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.408 0.623 . . . . 0.0 110.506 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.419 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 78.1 mt -114.25 127.61 71.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.125 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.476 ' OH ' ' HB3' ' A' ' 25' ' ' GLN . 10.7 t80 -140.23 139.98 35.72 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.3 t 72.54 17.93 4.52 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.326 0.584 . . . . 0.0 110.59 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.1 0.06 66.14 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.516 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -145.43 153.09 40.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.975 0.387 . . . . 0.0 111.133 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -69.94 137.77 51.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.006 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.4 pt -90.12 138.24 19.84 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.132 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.65 119.11 6.36 Favored Glycine 0 N--CA 1.434 -1.461 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.438 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 49.7 t -130.74 117.76 19.88 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.9 m -140.89 158.65 64.64 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.774 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.44 149.47 90.75 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.223 1.949 . . . . 0.0 111.225 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -53.68 126.75 23.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.731 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.71 ' HA ' ' OE1' ' A' ' 8' ' ' GLU . 68.2 mttm -129.79 127.1 39.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.622 177.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -61.09 -41.37 96.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.314 0.578 . . . . 0.0 110.197 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.77 -41.72 95.64 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.908 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.46 -42.05 99.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.52 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 107' ' ' LYS . 46.3 mm -61.97 -41.52 91.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.85 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.9 m -59.08 -43.41 91.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.293 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -65.62 -44.18 87.27 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.63 0.252 . . . . 0.0 110.735 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.31 -42.3 99.0 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.6 p -68.72 -40.5 79.9 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.641 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -79.08 -23.28 44.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.87 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 117' ' ' GLU . 14.2 tp10 68.8 8.73 6.96 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.464 0.706 . . . . 0.0 111.303 178.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 73.13 51.06 10.66 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.276 -0.964 . . . . 0.0 111.89 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -58.96 -42.01 88.88 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.524 0.202 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -85.45 108.21 17.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.319 0.58 . . . . 0.0 109.743 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -149.49 146.37 27.37 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.286 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -72.09 99.1 2.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.071 0.462 . . . . 0.0 110.7 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -171.14 119.64 0.5 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.379 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 10.0 p80 . . . . . 0 C--N 1.312 -1.023 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.348 179.164 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tmt? . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 120.669 0.271 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 t -71.12 -26.52 63.06 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.87 -43.06 99.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.057 0.456 . . . . 0.0 109.897 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.93 88.21 0.1 Allowed Glycine 0 N--CA 1.436 -1.314 0 C-N-CA 120.067 -1.063 . . . . 0.0 112.702 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m -71.56 135.84 47.2 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -102.6 72.02 1.22 Allowed 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 121.279 0.561 . . . . 0.0 110.218 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.6 m -84.58 7.0 21.58 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.815 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -91.98 6.7 45.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.784 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.0 m 71.85 -58.51 0.58 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.17 0.988 . . . . 0.0 111.358 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.79 -56.0 5.03 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 114.607 0.603 . . . . 0.0 114.607 176.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -87.97 9.0 23.73 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -175.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.65 138.41 53.94 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 76' ' ' LYS . 27.7 m -124.06 156.64 31.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 120.985 0.421 . . . . 0.0 110.966 -178.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.445 HG21 ' HA ' ' A' ' 106' ' ' TYR . 59.6 t -111.87 111.55 36.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.283 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 176.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 102' ' ' GLY . 10.4 t -100.19 127.63 52.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -144.06 165.23 28.37 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.983 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.09 -11.2 10.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.357 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.435 ' HB2' HG12 ' A' ' 22' ' ' ILE . 23.8 p90 -107.54 163.21 13.26 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.499 0.19 . . . . 0.0 111.219 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -85.07 -86.59 0.13 Allowed 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -175.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -165.16 -65.91 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 111.093 -174.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.33 8.13 2.41 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.79 -177.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.435 HG12 ' HB2' ' A' ' 18' ' ' TYR . 2.9 pp -84.5 1.87 4.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.555 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.9 m -59.39 -45.89 90.22 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -51.85 -35.02 43.23 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.245 0.545 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.558 ' HB3' ' OH ' ' A' ' 96' ' ' TYR . 98.4 mt-30 -77.68 -62.18 1.75 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.991 -178.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.0 tt -66.77 -27.33 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -175.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.98 -33.41 74.26 Favored 'General case' 0 C--O 1.203 -1.345 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.223 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.7 -36.92 58.1 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -89.92 -45.94 8.88 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -83.38 -7.06 59.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -173.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.16 -25.73 61.85 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.553 0.216 . . . . 0.0 111.431 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -62.05 -33.45 74.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.152 0.501 . . . . 0.0 110.259 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -76.7 -48.62 18.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.772 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.66 -139.84 6.78 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 119.862 -1.161 . . . . 0.0 113.97 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' A' ' 66' ' ' ILE . 13.7 pt-20 -86.74 148.92 25.22 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.898 0.879 . . . . 0.0 111.692 -176.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.3 mt -137.35 -76.09 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 120.786 0.327 . . . . 0.0 111.544 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mp -98.37 169.63 9.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.364 0.602 . . . . 0.0 112.337 -177.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -69.77 -36.59 75.88 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.63 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -80.45 110.46 15.93 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.691 -178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.7 mt -126.58 -71.24 0.69 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.406 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 65.01 -70.39 0.09 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.501 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.8 m -123.75 113.3 18.41 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -91.07 -74.07 0.51 Allowed 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.732 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.2 mt -126.93 -51.88 1.44 Allowed 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.63 -50.16 3.48 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.296 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -77.85 -69.71 0.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.452 ' C ' ' H ' ' A' ' 49' ' ' THR . 16.2 m -79.59 -91.31 0.05 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 121.364 -0.134 . . . . 0.0 110.996 -179.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 65.48 -37.08 0.24 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.868 0.867 . . . . 0.0 113.218 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.452 ' H ' ' C ' ' A' ' 47' ' ' THR . 28.8 p -77.86 -1.98 34.37 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 123.526 0.73 . . . . 0.0 112.331 -176.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.7 tpt -125.7 76.43 1.57 Allowed 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.404 ' C ' ' HG1' ' A' ' 52' ' ' THR . 73.7 mtm180 -150.09 168.2 24.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.406 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.412 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 32.9 p 58.94 159.93 0.1 OUTLIER Pre-proline 0 N--CA 1.482 1.165 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 175.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.412 ' HD2' ' HB ' ' A' ' 52' ' ' THR . 61.6 Cg_endo -81.69 93.4 0.96 Allowed 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 122.012 1.808 . . . . 0.0 113.157 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.9 -54.09 4.8 Favored Glycine 0 CA--C 1.523 0.575 0 CA-C-N 115.986 -0.552 . . . . 0.0 114.33 175.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -123.6 139.86 53.58 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-O 121.538 0.685 . . . . 0.0 112.274 -176.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -88.0 176.92 7.1 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.12 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -100.91 144.68 29.56 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.552 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -85.31 145.03 27.72 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.12 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -64.12 -30.54 71.6 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.373 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 72.64 142.9 0.09 OUTLIER Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 114.281 -1.327 . . . . 0.0 112.449 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.37 -12.52 27.46 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.74 2.293 . . . . 0.0 111.638 178.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -107.63 -80.59 0.57 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.189 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -139.78 152.24 46.42 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 121.531 0.681 . . . . 0.0 112.115 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -69.29 139.85 54.37 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.822 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -141.9 151.15 42.39 Favored 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.474 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.424 ' HA ' ' OE1' ' A' ' 35' ' ' GLU . 4.5 tt -88.72 137.4 21.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.24 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 m -59.51 -38.47 81.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.111 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -98.19 159.4 14.96 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.723 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -71.74 130.35 40.89 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.208 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.0 p-80 -123.91 144.8 49.55 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.115 0.483 . . . . 0.0 111.494 -177.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.0 -163.58 31.09 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.644 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -78.48 -54.03 6.59 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.2 p -114.11 8.83 17.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 121.258 0.552 . . . . 0.0 111.504 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -137.26 146.52 44.83 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.26 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.7 m -127.53 127.23 43.62 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.969 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 39.6 ttpt -91.01 116.77 29.06 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -112.56 129.1 56.48 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.8 m -110.6 111.09 22.08 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -88.78 -23.36 22.9 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.54 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.88 -61.72 0.44 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.747 0.819 . . . . 0.0 111.227 -178.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -75.74 130.91 39.41 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.083 0.468 . . . . 0.0 110.205 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -77.47 -13.55 59.89 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.413 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.7 m -59.1 -45.34 91.14 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.267 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -93.2 -14.46 27.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.07 0.462 . . . . 0.0 111.031 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -60.7 -47.52 85.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.668 -177.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.6 mp -63.33 -38.65 91.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -60.11 -43.59 95.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.357 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.72 -12.84 58.45 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.844 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.1 tp -67.06 -6.86 19.04 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.013 0.525 . . . . 0.0 112.398 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -66.36 105.97 1.59 Allowed 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.544 0.688 . . . . 0.0 112.186 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.07 7.42 18.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.662 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -123.47 142.85 50.59 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.953 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.02 32.37 83.96 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.333 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.5 m -135.96 91.93 2.75 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 121.237 0.541 . . . . 0.0 110.887 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.493 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 98.0 mt -113.47 125.74 70.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.939 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.558 ' OH ' ' HB3' ' A' ' 25' ' ' GLN . 42.2 t80 -136.92 140.81 42.56 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.293 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.6 t 70.42 -15.39 0.36 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.61 0.764 . . . . 0.0 112.388 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 96' ' ' TYR . . . 140.07 -18.97 2.91 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.687 179.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.04 155.7 45.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.707 0.289 . . . . 0.0 110.949 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.493 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -73.79 134.66 43.43 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.166 177.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.7 pt -91.59 120.42 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -99.36 111.94 4.34 Favored Glycine 0 N--CA 1.431 -1.693 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.169 -177.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 48.0 t -113.08 103.29 11.22 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.423 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 13.6 m -132.9 161.71 61.99 Favored Pre-proline 0 C--N 1.316 -0.871 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.306 -178.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 16.2 Cg_endo -58.8 151.83 61.49 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.218 1.945 . . . . 0.0 111.563 178.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.445 ' HA ' HG21 ' A' ' 14' ' ' VAL . 83.2 t80 -34.83 -67.26 0.15 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -174.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 63.24 124.56 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.718 0.77 . . . . 0.0 112.535 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -67.4 -44.26 79.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.815 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -69.37 -34.22 74.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.147 -178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.44 ' O ' HD11 ' A' ' 114' ' ' LEU . 46.0 tp -61.06 -41.69 97.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.818 -177.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.8 mm -61.65 -43.57 97.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.1 m -60.94 -40.82 94.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.07 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -64.05 -43.06 96.68 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.272 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.44 HD11 ' O ' ' A' ' 110' ' ' LEU . 10.8 mp -74.42 -9.77 58.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.004 0.43 . . . . 0.0 111.817 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 53.0 m -86.21 2.21 47.88 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.655 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -62.6 -13.58 32.99 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.961 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -78.49 -4.92 50.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.433 0.635 . . . . 0.0 110.658 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -135.67 85.81 0.25 Allowed Glycine 0 N--CA 1.44 -1.098 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.765 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -74.76 154.57 38.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.949 0.404 . . . . 0.0 111.515 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -70.88 169.21 15.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.111 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -79.8 -55.54 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.763 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -153.86 153.57 32.34 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -177.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -62.0 -33.14 73.79 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.313 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 69.8 m80 . . . . . 0 C--O 1.254 1.316 0 CA-C-O 118.608 -0.71 . . . . 0.0 109.537 179.173 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t 66.45 93.25 0.07 Allowed 'General case' 0 C--O 1.232 0.162 0 O-C-N 123.788 0.68 . . . . 0.0 111.106 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.9 mt -87.58 -16.61 34.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.105 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.92 -63.22 3.53 Favored Glycine 0 C--O 1.238 0.368 0 CA-C-N 115.463 -0.79 . . . . 0.0 113.771 175.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m 70.51 162.67 0.24 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.472 0.709 . . . . 0.0 110.704 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -88.04 -39.96 14.23 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 62.3 m -167.72 100.29 0.48 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 -176.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -81.16 -4.76 56.44 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.279 0.562 . . . . 0.0 110.786 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.6 p -78.94 -19.38 51.9 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.316 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.62 -123.16 7.44 Favored Glycine 0 N--CA 1.43 -1.751 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.359 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -119.65 22.68 11.53 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.88 0.371 . . . . 0.0 110.793 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.91 131.88 34.2 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.087 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.96 162.43 37.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.564 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.4 t -116.25 119.58 62.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.394 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.5 HG22 ' SG ' ' A' ' 103' ' ' CYS . 21.3 t -104.88 128.36 58.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -136.69 165.9 24.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.202 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.81 -6.97 13.48 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.54 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.492 ' OH ' ' HB ' ' A' ' 75' ' ' THR . 32.1 p90 -115.1 175.49 5.48 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.043 0.449 . . . . 0.0 111.698 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -123.04 151.15 42.21 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.158 -177.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.431 ' HA ' HD22 ' A' ' 37' ' ' LEU . 40.3 tt0 -67.41 77.39 0.17 Allowed 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.193 176.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -175.07 -30.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.412 HD13 ' HB ' ' A' ' 26' ' ' ILE . 5.4 pt -87.12 34.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.561 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.398 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.481 HG23 ' HB2' ' A' ' 39' ' ' ASP . 6.4 m -59.48 -52.8 64.01 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.513 ' HZ1' ' CD ' ' A' ' 43' ' ' GLU . 4.8 mptp? -64.46 -34.98 79.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.852 0.358 . . . . 0.0 111.763 -179.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -62.81 -68.87 0.3 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.091 -177.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.412 ' HB ' HD13 ' A' ' 22' ' ' ILE . 14.6 tt -69.87 -30.17 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.325 -174.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.4 tp -64.08 -32.66 74.3 Favored 'General case' 0 C--O 1.203 -1.382 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.201 -178.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.95 -28.33 36.63 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.804 0.335 . . . . 0.0 111.301 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -93.43 -45.23 7.88 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.963 0.411 . . . . 0.0 111.85 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -89.08 -7.44 55.82 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -173.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.34 -26.31 64.94 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -71.74 -17.29 62.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.178 0.513 . . . . 0.0 110.158 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -103.03 -42.32 5.83 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.981 -178.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.57 179.31 46.84 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.39 -0.909 . . . . 0.0 113.0 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -93.46 134.61 35.53 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.084 0.554 . . . . 0.0 110.235 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.437 HG22 ' CD1' ' A' ' 37' ' ' LEU . 5.1 mt -125.84 130.49 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.286 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' CD1' HG22 ' A' ' 36' ' ' ILE . 10.6 mp 75.53 167.46 0.28 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.631 0.772 . . . . 0.0 112.309 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -89.3 1.68 55.41 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -172.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.481 ' HB2' HG23 ' A' ' 23' ' ' THR . 6.2 m-20 -65.09 -79.9 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 118.53 0.605 . . . . 0.0 111.695 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.4 mt 42.62 87.99 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.728 0.811 . . . . 0.0 112.734 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -119.15 -57.02 2.05 Favored 'General case' 0 C--N 1.289 -2.025 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.218 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.7 m -158.06 83.61 0.86 Allowed 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.513 ' CD ' ' HZ1' ' A' ' 24' ' ' LYS . 13.4 mm-40 -90.45 -80.11 0.33 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.76 -174.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.458 HD13 ' HE ' ' A' ' 51' ' ' ARG . 72.5 mt -87.01 -14.3 42.01 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 176.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.5 -173.18 43.19 Favored Glycine 0 N--CA 1.423 -2.181 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -88.12 -0.97 57.71 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 117.569 0.684 . . . . 0.0 111.023 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.527 ' O ' ' HG3' ' A' ' 50' ' ' MET . 5.9 t -137.42 -20.02 1.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.38 37.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -173.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -99.43 -12.2 20.44 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.527 ' HG3' ' O ' ' A' ' 47' ' ' THR . 1.2 ppp? -78.55 37.89 0.29 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.242 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HE ' HD13 ' A' ' 44' ' ' LEU . 37.0 mmt180 -70.28 79.86 0.53 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.555 0.693 . . . . 0.0 109.769 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.574 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 49.8 p -139.11 172.83 5.9 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.113 -176.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.574 ' HD2' ' HB ' ' A' ' 52' ' ' THR . 55.1 Cg_endo -72.42 7.96 1.67 Allowed 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.949 1.766 . . . . 0.0 113.21 177.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.98 51.86 0.06 OUTLIER Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.474 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -139.09 140.83 38.11 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -109.87 140.77 43.44 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 121.076 0.465 . . . . 0.0 111.022 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.421 ' O ' ' HB3' ' A' ' 58' ' ' GLN . 36.3 p90 -79.35 -24.45 42.7 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.856 -175.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.421 ' HB3' ' O ' ' A' ' 57' ' ' PHE . 7.9 tp-100 72.15 116.46 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.254 0.549 . . . . 0.0 110.338 -174.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -75.56 91.18 2.8 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.426 0.632 . . . . 0.0 110.582 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.44 145.11 31.56 Favored Pre-proline 0 C--N 1.311 -1.091 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.777 175.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.05 -64.95 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.114 2.542 . . . . 0.0 113.553 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -129.44 78.59 1.86 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.156 0.503 . . . . 0.0 111.082 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -131.72 143.45 50.27 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.9 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 92.3 mtm180 -69.25 87.07 0.41 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.167 0.508 . . . . 0.0 109.749 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -66.02 -36.93 84.6 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.869 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.475 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 2.1 tt -53.55 -39.91 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.061 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.9 m 55.89 30.92 16.81 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 178.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 66' ' ' ILE . 76.0 mtt85 -129.97 152.07 49.83 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HG2' ' HE2' ' A' ' 76' ' ' LYS . 22.5 pt-20 -82.79 136.02 34.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.986 0.422 . . . . 0.0 110.331 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.404 ' CB ' ' HA ' ' A' ' 75' ' ' THR . 45.0 p-80 -158.16 166.63 31.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.994 -178.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.33 -143.87 13.29 Favored Glycine 0 N--CA 1.436 -1.31 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 177.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -108.36 -14.59 14.65 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.036 -0.665 . . . . 0.0 110.491 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.6 p -126.84 -0.84 6.65 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.682 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 -142.64 145.04 33.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.306 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.492 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 87.8 m -137.94 134.12 34.57 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.297 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.431 ' HE2' ' HG2' ' A' ' 69' ' ' GLU . 39.1 ttpt -88.18 117.62 27.2 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.5 mt -107.64 123.73 48.92 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.222 0.534 . . . . 0.0 110.87 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.8 m -110.47 113.08 25.45 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -96.43 -9.19 30.4 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.154 -178.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 63.01 7.44 2.68 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.396 -178.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -130.47 140.54 50.53 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.795 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -87.07 -20.64 26.85 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.396 -178.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.2 t -62.49 -43.88 97.74 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.989 0.423 . . . . 0.0 111.154 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.0 p -84.39 -15.26 46.94 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.52 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 46.2 t80 -59.8 -50.59 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.16 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.49 -42.5 95.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.803 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -65.56 -37.27 86.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.084 0.469 . . . . 0.0 111.282 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.15 -13.22 62.1 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.102 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 85' ' ' TYR . 45.1 mt -74.99 -5.56 44.59 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -176.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.522 ' HD3' ' OG1' ' A' ' 94' ' ' THR . 14.9 ptp180 -53.32 128.17 27.32 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 120.989 0.423 . . . . 0.0 111.338 179.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 101' ' ' ILE . 14.8 pt-20 -146.21 13.01 1.24 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -110.97 -70.35 0.82 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.835 0.35 . . . . 0.0 111.652 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.9 57.62 1.09 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.685 -0.769 . . . . 0.0 113.052 -176.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.522 ' OG1' ' HD3' ' A' ' 90' ' ' ARG . 87.3 m -150.22 103.18 3.15 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.223 0.535 . . . . 0.0 110.372 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 95.5 mt -114.24 124.11 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.444 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -121.29 128.06 51.97 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.7 t 62.85 23.18 13.84 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 121.07 0.462 . . . . 0.0 111.189 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.25 10.97 73.38 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.91 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.29 138.49 50.5 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.48 137.55 44.55 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.328 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 91' ' ' GLU . 51.1 mt -87.12 126.0 40.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.26 121.15 5.2 Favored Glycine 0 N--CA 1.437 -1.286 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.925 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.5 ' SG ' HG22 ' A' ' 15' ' ' VAL . 49.5 t -132.64 128.4 36.99 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.07 165.57 33.81 Favored Pre-proline 0 C--N 1.316 -0.883 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.616 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -61.48 148.79 92.11 Favored 'Trans proline' 0 C--O 1.239 0.531 0 C-N-CA 122.163 1.909 . . . . 0.0 110.794 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.484 ' CE1' HD11 ' A' ' 111' ' ' ILE . 78.9 t80 -63.72 95.83 0.12 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.119 0.485 . . . . 0.0 110.943 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -97.37 138.22 35.16 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.613 177.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -67.33 -38.52 85.03 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.647 -177.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.86 -28.33 67.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.969 0.414 . . . . 0.0 110.682 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.55 -36.59 81.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.771 178.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.484 HD11 ' CE1' ' A' ' 106' ' ' TYR . 46.0 mm -61.3 -42.79 94.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.577 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.5 m -60.35 -41.16 93.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.348 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -62.24 -50.73 70.6 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.273 0.558 . . . . 0.0 110.332 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.14 -42.14 96.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.137 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.9 p -66.8 -36.0 81.37 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -67.19 -38.8 85.97 Favored 'General case' 0 N--CA 1.42 -1.957 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 70.05 96.53 0.07 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.117 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 132.49 -109.39 0.84 Allowed Glycine 0 N--CA 1.435 -1.425 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.539 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -105.89 169.94 8.19 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 120.667 0.27 . . . . 0.0 110.542 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -73.6 -36.83 65.56 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.521 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -139.67 -162.03 1.28 Allowed 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -135.19 111.61 9.82 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 120.667 0.27 . . . . 0.0 111.206 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 70.8 m80 65.38 -81.0 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.054 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 . . . . . 0 C--O 1.243 0.748 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.883 -178.895 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.574 0.226 . . . . 0.0 111.606 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -87.5 -46.69 9.37 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.935 0.397 . . . . 0.0 110.804 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.9 mt -118.68 129.7 55.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.92 134.27 14.2 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -63.43 -44.23 95.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.558 0.179 . . . . 0.0 110.806 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 43.82 65.2 1.06 Allowed 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.239 0.962 . . . . 0.0 111.951 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.7 t -90.0 -136.05 0.12 Allowed 'General case' 0 N--CA 1.426 -1.656 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.03 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 64.14 4.74 2.18 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.608 1.163 . . . . 0.0 112.028 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.9 m -65.54 -45.72 82.31 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.592 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.55 -153.37 22.05 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.583 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -107.02 20.57 18.85 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 122.712 0.405 . . . . 0.0 111.384 -178.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.56 134.19 52.62 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.072 0.463 . . . . 0.0 111.758 -178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 m -116.4 156.3 17.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.902 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.23 112.26 39.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' ' 102' ' ' GLY . 22.3 t -113.72 132.75 61.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.43 ' HB3' ' HB3' ' A' ' 74' ' ' TRP . 32.3 p90 -142.73 165.31 27.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.656 -178.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.81 10.41 8.39 Favored Glycine 0 N--CA 1.459 0.182 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.539 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 28.6 p90 -139.93 167.35 22.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.751 0.31 . . . . 0.0 110.75 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -124.19 158.78 31.59 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -74.37 87.23 2.02 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -176.62 -29.88 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.755 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 pp -97.53 31.24 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.378 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.8 m -57.99 -48.61 79.49 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.251 -174.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.507 ' HE3' ' HB2' ' A' ' 41' ' ' GLU . 11.0 mptt -61.66 -39.34 91.04 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.853 -173.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -65.98 -63.6 1.05 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.956 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 tt -67.79 -30.95 50.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -175.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' HG ' HD23 ' A' ' 40' ' ' LEU . 2.9 tm? -63.31 -41.83 98.97 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.965 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.42 -28.63 67.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -85.29 -48.13 9.37 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.956 0.407 . . . . 0.0 111.576 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -84.22 -7.47 59.34 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -175.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.95 -23.46 53.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.643 0.258 . . . . 0.0 111.524 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -58.44 -26.09 62.94 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.251 0.548 . . . . 0.0 109.54 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -107.69 -48.26 3.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.707 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.31 -167.32 36.01 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.785 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -94.42 158.28 15.63 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 mm -107.09 -77.55 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -175.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.43 -174.37 3.8 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -177.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -66.93 169.84 7.58 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -173.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 52.36 76.69 0.18 Allowed 'General case' 0 C--N 1.35 0.601 0 C-N-CA 124.915 1.286 . . . . 0.0 113.369 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' O ' ' HE3' ' A' ' 24' ' ' LYS . 6.1 mp -91.23 -31.34 16.19 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.507 ' HB2' ' HE3' ' A' ' 24' ' ' LYS . 40.7 mt-10 43.63 -94.27 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.424 0.689 . . . . 0.0 111.272 -175.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.2 m -87.79 92.49 9.14 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 175.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -63.81 -78.43 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.786 -175.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.507 ' HG ' ' N ' ' A' ' 45' ' ' GLY . 1.2 pt? -160.87 -54.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.504 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.507 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 79.04 -1.14 76.25 Favored Glycine 0 C--N 1.339 0.743 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.66 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.37 -85.04 0.24 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.731 0.3 . . . . 0.0 111.783 -178.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -90.38 37.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.754 0.788 . . . . 0.0 109.983 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -59.47 -24.98 64.03 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.177 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.7 p -66.6 -31.83 72.78 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.497 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 52.1 ttp -108.94 108.88 19.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.379 . . . . 0.0 111.522 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -134.4 84.13 2.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.997 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.5 m 65.51 122.95 0.02 OUTLIER Pre-proline 0 CA--C 1.548 0.87 0 CA-C-O 121.728 0.775 . . . . 0.0 111.653 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -76.99 47.23 2.15 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.315 2.677 . . . . 0.0 112.751 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.81 -57.56 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.021 -1.085 . . . . 0.0 113.7 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -133.22 164.02 27.99 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 120.973 0.416 . . . . 0.0 110.559 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -86.34 162.22 18.32 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.162 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -100.5 16.2 25.42 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.823 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -56.44 98.98 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.413 0.625 . . . . 0.0 111.108 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -78.84 90.15 4.69 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.535 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.438 ' HB3' ' HB2' ' A' ' 63' ' ' ARG . . . -86.9 120.63 71.73 Favored Pre-proline 0 C--N 1.315 -0.902 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.097 179.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -57.16 -31.6 90.97 Favored 'Trans proline' 0 N--CA 1.481 0.79 0 C-N-CA 123.196 2.598 . . . . 0.0 113.426 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -89.58 6.53 40.73 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.011 0.434 . . . . 0.0 110.729 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.438 ' HB2' ' HB3' ' A' ' 60' ' ' ALA . 25.2 mmt180 -142.21 -168.91 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.921 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -69.24 127.66 33.84 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.352 175.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -78.16 -60.35 2.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.718 0.771 . . . . 0.0 108.954 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.1 tt -103.38 151.09 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.947 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.9 t -59.13 -38.59 80.01 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.0 mmt-85 -120.62 149.0 43.16 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 120.91 0.386 . . . . 0.0 111.189 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.9 162.7 28.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.373 -177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -105.78 146.69 29.52 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.128 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.13 -92.55 2.03 Favored Glycine 0 N--CA 1.44 -1.087 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.238 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -128.09 -85.57 0.58 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.957 0.408 . . . . 0.0 110.591 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.2 p -114.84 21.97 13.89 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.608 0.718 . . . . 0.0 110.194 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.43 ' HB3' ' HB3' ' A' ' 16' ' ' PHE . 65.4 p-90 -134.61 148.01 50.33 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.169 -178.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 38.0 m -134.38 129.5 35.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.047 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -88.29 107.77 18.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD13 ' OH ' ' A' ' 79' ' ' TYR . 94.4 mt -92.85 118.59 31.28 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.276 0.56 . . . . 0.0 111.632 -175.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 87.8 m -112.37 114.19 26.79 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.865 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.403 ' OH ' HD13 ' A' ' 77' ' ' LEU . 98.0 m-85 -108.45 7.07 26.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.713 -178.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.36 -53.61 0.64 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.583 0.753 . . . . 0.0 112.501 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -81.99 144.95 30.53 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-O 120.977 0.418 . . . . 0.0 110.727 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.414 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 51.5 p-80 -74.4 -22.66 59.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.233 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.65 ' O ' ' HG2' ' A' ' 87' ' ' ARG . 11.1 m -62.05 -51.39 68.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.329 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -65.46 -33.47 76.02 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.227 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.414 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 19.8 t80 -57.28 -50.17 73.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.663 177.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.1 tp -67.51 -37.37 82.7 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.131 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 83' ' ' SER . 30.1 mmm180 -63.41 -37.21 86.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.586 -178.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.51 -12.94 60.11 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.906 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.9 tp -67.63 -7.49 26.99 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.228 0.611 . . . . 0.0 111.896 -177.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -58.1 86.6 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -105.39 -9.83 17.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.154 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -59.79 91.78 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 -176.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.89 32.5 84.13 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.723 177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.8 m -86.26 90.79 8.27 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.017 0.437 . . . . 0.0 110.627 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.495 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 93.2 mt -102.86 126.66 57.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.329 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.416 ' C ' ' H ' ' A' ' 98' ' ' GLY . 13.2 t80 -134.34 134.55 41.92 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 52.8 t 73.62 -37.01 0.36 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.02 0.528 . . . . 0.0 111.632 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 96' ' ' TYR . . . 163.76 -31.53 0.27 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.908 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -111.47 160.85 16.73 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.495 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -84.87 136.72 33.53 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.49 178.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 40.6 pt -86.77 136.49 22.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.503 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -98.86 115.67 5.37 Favored Glycine 0 N--CA 1.433 -1.505 0 C-N-CA 120.501 -0.856 . . . . 0.0 112.268 -177.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 56.6 m -109.78 102.06 10.89 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.2 m -123.23 158.01 59.45 Favored Pre-proline 0 C--N 1.312 -1.06 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.367 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.1 152.04 82.25 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.869 2.379 . . . . 0.0 110.995 177.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -56.89 102.29 0.08 Allowed 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.422 0.451 . . . . 0.0 111.256 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.444 ' O ' HG12 ' A' ' 111' ' ' ILE . 60.3 mtpt -101.93 134.92 44.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.232 177.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -63.89 -47.56 80.16 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.74 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -68.8 -33.14 73.35 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.315 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 50.1 tp -59.89 -40.73 89.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.721 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 107' ' ' LYS . 45.6 mm -61.82 -43.97 98.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.3 m -61.51 -42.77 99.31 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -58.74 -49.58 77.1 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.817 0.341 . . . . 0.0 110.497 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.98 -43.35 95.99 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.432 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.3 p -73.6 -41.65 62.55 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -71.67 -45.1 62.97 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -178.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 51.28 81.35 0.07 Allowed 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.413 0.625 . . . . 0.0 111.861 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -131.71 15.11 5.21 Favored Glycine 0 C--O 1.223 -0.544 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.415 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 55.05 -64.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 124.934 1.293 . . . . 0.0 113.897 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -141.46 112.35 7.23 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -93.86 -81.14 0.38 Allowed 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.601 -177.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -142.23 123.26 14.52 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 69.6 t60 70.95 -46.12 0.63 Allowed 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.78 0.675 . . . . 0.0 110.595 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.074 176.211 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.664 0.269 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m -85.51 -15.84 41.48 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.667 -178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 tt -64.17 -45.37 88.71 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 120.959 0.409 . . . . 0.0 110.598 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.56 169.82 24.62 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.385 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 p -92.04 118.05 30.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.95 0.405 . . . . 0.0 110.497 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.01 -10.59 59.96 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.9 t -97.9 1.08 47.71 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.197 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 62.78 24.58 14.63 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.205 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.17 30.77 1.82 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.169 0.509 . . . . 0.0 110.635 -178.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.79 -4.49 54.17 Favored Glycine 0 C--O 1.227 -0.309 0 CA-C-N 115.882 -0.599 . . . . 0.0 113.053 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -97.45 5.65 49.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.885 0.374 . . . . 0.0 110.289 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 77' ' ' LEU . . . -135.26 143.18 46.15 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.51 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.27 160.27 42.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.505 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -107.94 114.44 46.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.09 127.3 65.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -141.93 173.34 11.6 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.871 0.367 . . . . 0.0 111.485 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.76 -2.57 23.09 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.685 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -125.94 176.1 7.22 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.757 0.313 . . . . 0.0 111.309 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -128.32 166.31 18.88 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.596 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -76.68 86.16 3.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.24 0.543 . . . . 0.0 109.629 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -168.23 -39.66 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.363 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 pp -88.5 21.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.354 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.4 m -61.0 -47.93 84.18 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.298 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -56.52 -37.26 70.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.47 0.652 . . . . 0.0 109.425 -178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -72.47 -67.05 0.58 Allowed 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.426 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.4 tt -66.16 -33.5 63.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.529 ' CD1' ' HA ' ' A' ' 43' ' ' GLU . 2.4 tm? -63.27 -39.65 95.18 Favored 'General case' 0 C--O 1.203 -1.379 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.372 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.39 -34.48 73.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.772 0.32 . . . . 0.0 111.787 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -83.28 -46.83 12.17 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.742 0.306 . . . . 0.0 111.794 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -83.78 -4.9 59.01 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -177.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 27' ' ' LEU . . . -56.32 -14.97 3.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.459 0.304 . . . . 0.0 111.725 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -60.26 -27.49 67.28 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -95.75 -67.65 0.84 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.533 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.26 -161.35 25.66 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.255 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.45 139.77 57.08 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.856 0.328 . . . . 0.0 110.298 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 75' ' ' THR . 43.5 mm -103.83 -54.52 6.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 120.906 0.384 . . . . 0.0 110.531 178.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mp -117.82 179.6 4.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.315 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.572 ' O ' ' HD2' ' A' ' 65' ' ' ARG . 50.9 mt-10 -65.73 -37.49 86.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.72 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.75 142.11 49.76 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.854 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 tt -173.14 101.86 0.13 Allowed 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -101.71 -43.47 5.84 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.046 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.4 t -145.83 122.79 11.35 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.529 ' HA ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -90.99 -78.85 0.38 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.55 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -124.03 -48.68 1.86 Allowed 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.971 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.65 128.15 4.9 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.97 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 62.03 27.11 16.39 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.191 0.596 . . . . 0.0 111.854 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -164.32 33.2 0.07 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.52 0.676 . . . . 0.0 110.854 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 42.5 tt0 -59.4 -36.07 75.14 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.948 -178.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.2 t -78.56 -16.72 57.11 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.2 ttp -64.27 -40.37 95.85 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.348 0.594 . . . . 0.0 109.682 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -86.99 153.61 21.42 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.99 178.087 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.2 p 57.97 158.77 0.09 OUTLIER Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 124.315 1.046 . . . . 0.0 113.717 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -69.91 -156.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.828 2.352 . . . . 0.0 111.702 176.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.63 32.43 1.21 Allowed Glycine 0 CA--C 1.526 0.748 0 C-N-CA 121.115 -0.564 . . . . 0.0 113.455 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -124.22 113.22 17.99 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -103.54 131.85 50.31 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 120.93 0.395 . . . . 0.0 110.461 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -69.78 -37.98 76.54 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.738 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 66.91 120.78 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.711 0.632 . . . . 0.0 110.194 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -69.6 88.75 0.51 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.223 0.535 . . . . 0.0 111.256 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.41 102.92 55.38 Favored Pre-proline 0 N--CA 1.441 -0.915 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.923 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.16 -14.07 31.49 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.905 2.404 . . . . 0.0 112.773 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -82.86 -9.85 59.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.469 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 -134.83 -164.78 1.57 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.486 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -82.42 128.98 34.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.522 176.842 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.572 ' HD2' ' O ' ' A' ' 38' ' ' GLU . 80.3 mtt85 -71.65 -44.73 63.8 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.83 0.348 . . . . 0.0 110.869 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.405 HG12 ' H ' ' A' ' 68' ' ' ARG . 15.7 tt -89.06 131.8 35.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.366 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -96.31 27.84 3.55 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.953 -176.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.405 ' H ' HG12 ' A' ' 66' ' ' ILE . 6.8 tpt180 -134.04 148.59 51.09 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 1.2 pm0 -75.56 147.86 39.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.958 0.409 . . . . 0.0 111.5 -178.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -154.25 169.75 22.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -176.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.65 -163.86 23.38 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -94.8 -19.68 20.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.247 0.524 . . . . 0.0 111.506 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.9 p -123.43 -2.72 8.45 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.65 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -143.12 147.84 35.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.425 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 36' ' ' ILE . 59.3 m -128.04 132.54 49.09 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 120.951 0.405 . . . . 0.0 111.57 -178.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 69' ' ' GLU . 83.9 tttt -91.31 113.73 26.08 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 176.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 12' ' ' ALA . 96.7 mt -112.76 124.57 52.88 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.038 0.447 . . . . 0.0 111.52 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.9 m -111.03 123.74 50.78 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.465 ' C ' ' H ' ' A' ' 81' ' ' ASN . 47.8 m-85 -103.59 -3.72 24.83 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.273 -176.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.95 -36.23 0.34 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.671 0.788 . . . . 0.0 111.793 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.465 ' H ' ' C ' ' A' ' 79' ' ' TYR . 14.6 m120 -99.36 139.57 34.82 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.458 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 45.2 p-80 -80.47 -15.78 55.93 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.18 0.514 . . . . 0.0 110.293 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.5 m -62.14 -40.41 95.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.592 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m -71.85 -18.57 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.337 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.458 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 62.3 t80 -60.13 -49.28 78.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.21 -42.61 96.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.055 0.455 . . . . 0.0 111.202 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -67.95 -42.19 81.32 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.715 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.93 -13.52 60.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.997 0.427 . . . . 0.0 111.632 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.4 tp -79.53 -6.0 56.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.694 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 90' ' ' ARG . 12.0 ptm180 -49.04 108.94 0.21 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -108.76 4.46 23.71 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.419 175.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -76.13 93.1 3.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.325 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.53 28.62 73.43 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.703 -0.68 . . . . 0.0 113.134 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 18.2 m -82.36 82.81 7.69 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.332 0.587 . . . . 0.0 110.355 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 97.5 mt -111.54 126.09 68.9 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.353 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -136.4 133.08 36.33 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.301 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 49.4 t 68.15 16.25 9.42 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.463 0.649 . . . . 0.0 110.609 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.21 -10.63 61.72 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.686 -0.688 . . . . 0.0 113.107 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.19 146.41 50.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 117.154 0.477 . . . . 0.0 111.698 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -77.62 142.42 38.91 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.216 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.8 pt -97.48 154.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.097 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.74 131.58 9.74 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.465 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.5 p -131.44 130.4 42.46 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.869 0.366 . . . . 0.0 110.654 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.9 m -132.64 161.58 62.48 Favored Pre-proline 0 C--N 1.315 -0.894 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.704 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -65.3 160.89 40.19 Favored 'Trans proline' 0 C--O 1.239 0.528 0 C-N-CA 121.936 1.757 . . . . 0.0 109.689 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -60.03 97.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.416 0.627 . . . . 0.0 110.433 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -96.69 116.29 28.88 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.019 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -60.03 -45.51 92.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.796 -175.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -66.8 -30.69 70.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.982 0.42 . . . . 0.0 111.033 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.98 -40.35 95.32 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.484 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.8 mm -62.02 -43.67 97.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.1 m -61.54 -41.51 97.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.439 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 44.6 mt-10 -67.24 -41.12 86.18 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 121.003 0.43 . . . . 0.0 111.186 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.0 -38.37 88.3 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.881 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.1 p -78.8 0.42 27.08 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 113' ' ' GLU . 14.8 ptm180 -66.23 -18.85 65.6 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.936 0.398 . . . . 0.0 110.243 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -74.83 87.11 2.25 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.658 0.742 . . . . 0.0 109.744 178.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 115.65 -14.02 17.66 Favored Glycine 0 C--N 1.297 -1.603 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.35 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 66.2 m80 60.66 24.86 14.64 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.862 0.465 . . . . 0.0 111.678 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -68.35 115.88 8.29 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 68.49 13.49 8.97 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.983 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -83.32 -4.17 58.19 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.894 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -97.79 119.41 36.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.292 178.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.795 -0.622 . . . . 0.0 110.441 179.734 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptp . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 m -85.71 98.63 10.81 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 120.838 0.351 . . . . 0.0 110.332 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -123.09 109.66 14.33 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.11 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.36 -31.16 55.51 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.558 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m 69.59 163.14 0.24 Allowed 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.72 0.808 . . . . 0.0 111.087 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -85.09 60.14 6.07 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.673 0.749 . . . . 0.0 110.519 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 p -115.78 -113.35 0.34 Allowed 'General case' 0 N--CA 1.427 -1.599 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.441 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 55.85 34.56 23.75 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 123.538 0.523 . . . . 0.0 111.695 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.3 m 73.84 9.51 4.78 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 121.313 0.577 . . . . 0.0 111.02 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.77 -4.68 41.62 Favored Glycine 0 C--O 1.223 -0.582 0 CA-C-N 115.944 -0.571 . . . . 0.0 113.979 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -62.24 -37.92 87.24 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 176.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.8 129.49 38.71 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.659 176.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 m -112.13 155.49 13.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.022 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.701 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -99.54 117.0 44.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.1 t -101.56 122.04 53.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.581 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -134.63 157.8 45.68 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.557 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.49 0.27 21.9 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.068 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.515 ' HB2' HD12 ' A' ' 22' ' ' ILE . 38.8 p90 -105.84 171.47 7.32 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -140.66 160.82 39.2 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 34.1 tt0 -76.54 61.48 1.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.45 0.643 . . . . 0.0 110.475 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -158.49 9.19 0.14 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.711 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 18' ' ' TYR . 30.0 pt -131.16 20.0 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.3 m -60.82 -44.41 96.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -59.95 -29.49 68.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.25 0.548 . . . . 0.0 110.169 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -89.24 -68.99 0.74 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -176.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.1 tt -64.82 -40.66 89.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.76 -34.39 77.73 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.854 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.97 -32.73 66.36 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.998 0.428 . . . . 0.0 111.263 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -90.74 -41.78 11.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.819 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -85.59 -7.39 58.88 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -175.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.9 -23.86 55.2 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.071 0.462 . . . . 0.0 110.847 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -59.6 -36.73 76.85 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.244 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -95.19 -50.63 4.97 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.055 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.23 150.07 7.92 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.069 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.425 ' CD ' HH22 ' A' ' 51' ' ' ARG . 3.4 mp0 -70.52 137.25 50.02 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 122.757 0.423 . . . . 0.0 111.534 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.501 ' N ' HD13 ' A' ' 36' ' ' ILE . 3.6 mp -94.07 -40.57 11.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.909 -178.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 4.4 mp -121.72 168.12 12.17 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -69.13 -32.04 71.15 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.725 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.43 146.43 54.89 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.059 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -157.34 113.8 2.95 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.5 -81.05 0.44 Allowed 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.959 179.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.9 m -103.88 -61.9 1.37 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.085 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.479 ' CD ' HH21 ' A' ' 51' ' ' ARG . 44.1 tt0 65.43 100.29 0.04 OUTLIER 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 178.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.0 mt 51.22 -137.63 1.15 Allowed 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.149 175.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.04 -78.23 0.24 Allowed Glycine 0 N--CA 1.436 -1.325 0 C-N-CA 120.665 -0.778 . . . . 0.0 111.357 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -67.88 -41.63 82.49 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.451 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 6.2 t 44.3 31.57 0.59 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.813 1.245 . . . . 0.0 113.233 -177.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -115.24 -27.16 7.36 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.074 175.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 t -132.81 -29.05 1.53 Allowed 'General case' 0 C--O 1.239 0.504 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.685 -177.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.446 ' HG3' ' O ' ' A' ' 50' ' ' MET . 15.8 tpt -85.41 28.37 0.75 Allowed 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.721 0.772 . . . . 0.0 110.625 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.479 HH21 ' CD ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -151.9 138.42 18.64 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.851 -178.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.47 ' HB ' ' CD ' ' A' ' 53' ' ' PRO . 41.4 p 56.6 174.28 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.164 0 C-N-CA 124.115 0.966 . . . . 0.0 112.341 177.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.47 ' CD ' ' HB ' ' A' ' 52' ' ' THR . 27.3 Cg_exo -66.94 -19.12 52.5 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.501 2.134 . . . . 0.0 111.932 176.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.93 55.78 0.01 OUTLIER Glycine 0 C--N 1.314 -0.654 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.789 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -127.28 134.06 50.09 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -79.02 143.6 35.49 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.406 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -61.12 -52.25 65.68 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.415 ' HG2' ' N ' ' A' ' 59' ' ' GLN . 61.6 tt0 59.75 172.97 0.08 Allowed 'General case' 0 CA--C 1.56 1.34 0 O-C-N 123.294 0.371 . . . . 0.0 110.621 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.445 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 54.1 tt0 -132.24 -75.09 0.51 Allowed 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.846 -0.534 . . . . 0.0 110.746 177.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 43.7 84.27 0.19 Allowed Pre-proline 0 C--N 1.313 -1.017 0 O-C-N 124.126 0.891 . . . . 0.0 112.871 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.1 -29.02 81.68 Favored 'Trans proline' 0 N--CA 1.477 0.519 0 C-N-CA 122.935 2.423 . . . . 0.0 112.731 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -80.09 -8.32 59.33 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.533 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.2 mmt-85 -133.65 178.59 6.82 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-O 120.856 0.36 . . . . 0.0 111.636 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -92.76 111.72 23.42 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.849 -178.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.445 ' HB3' ' O ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -64.96 -32.42 74.14 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.733 -178.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.413 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 4.2 tt -66.79 -39.12 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 121.165 0.507 . . . . 0.0 111.405 177.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 t 67.31 29.29 7.62 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.384 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -135.52 139.01 43.64 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -74.03 136.17 43.1 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -149.12 170.45 18.39 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.432 -176.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.453 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -106.63 -158.64 21.69 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.819 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.6 ttp-105 -69.55 -44.7 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.912 0.387 . . . . 0.0 111.866 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.7 p -129.29 15.17 6.15 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.303 -175.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.453 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 60.1 p-90 -140.17 143.19 35.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.183 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.8 t -142.19 147.08 35.98 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -100.15 118.92 37.48 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.0 mt -102.79 130.58 49.82 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.031 0.443 . . . . 0.0 111.225 -177.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.4 m -103.99 111.32 23.83 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -88.07 -18.78 28.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.754 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 68.31 -59.37 0.44 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.722 0.809 . . . . 0.0 112.139 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -82.7 140.27 33.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.974 0.416 . . . . 0.0 110.247 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -79.26 -25.18 42.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.635 -178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.7 t -61.42 -41.5 97.27 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.801 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 p -81.93 -15.48 53.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.098 0.475 . . . . 0.0 111.371 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -62.33 -42.08 99.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.968 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.11 -43.92 98.15 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -67.23 -37.17 83.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.847 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.58 -12.91 57.38 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 31.9 tp -82.27 -6.41 59.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.864 0.364 . . . . 0.0 110.974 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -53.43 102.08 0.05 Allowed 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -120.41 1.18 10.68 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.86 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -62.66 -38.02 88.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.315 -177.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.6 68.79 0.13 Allowed Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.4 m -111.53 92.05 3.89 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.095 0.474 . . . . 0.0 111.061 -177.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 88.7 mt -105.32 122.94 59.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.077 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -131.25 136.24 48.03 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 34.5 t 64.99 13.21 8.49 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.162 0.506 . . . . 0.0 111.466 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.83 7.39 56.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.1 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -142.69 145.51 33.47 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 117.267 0.534 . . . . 0.0 111.389 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -80.08 134.07 36.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.872 0.368 . . . . 0.0 110.682 177.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 29.5 pt -96.73 140.24 17.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.782 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -107.87 116.01 4.69 Favored Glycine 0 N--CA 1.437 -1.295 0 C-N-CA 120.109 -1.043 . . . . 0.0 112.126 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 5.2 p -121.57 100.8 7.22 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.265 0.555 . . . . 0.0 110.201 177.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.471 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 24.7 m -115.35 159.2 39.17 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.007 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.471 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 18.8 Cg_endo -58.83 151.56 63.71 Favored 'Trans proline' 0 C--O 1.242 0.715 0 C-N-CA 122.52 2.147 . . . . 0.0 111.642 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -61.06 120.62 10.62 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.585 0.707 . . . . 0.0 112.492 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -125.83 132.27 52.26 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 174.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -66.7 -34.76 78.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.822 0.344 . . . . 0.0 111.192 -177.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -68.34 -34.81 76.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.153 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.522 ' O ' HD12 ' A' ' 114' ' ' LEU . 26.5 tp -62.12 -43.43 98.86 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.984 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.48 -42.2 92.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.863 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.7 t -61.22 -45.67 93.59 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.716 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -61.45 -47.27 86.49 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.641 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 110' ' ' LEU . 10.7 mp -62.51 -33.96 75.93 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.1 m -73.55 -22.2 60.14 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 121.117 0.484 . . . . 0.0 110.363 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -87.21 -47.98 8.41 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.622 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 64.83 80.07 0.24 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.497 0.719 . . . . 0.0 111.253 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.88 -12.94 76.18 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.278 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -81.54 73.61 8.57 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -93.18 114.93 27.55 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.673 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -158.12 159.18 35.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.142 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -153.01 -58.61 0.13 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.106 0.479 . . . . 0.0 110.137 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -143.25 122.71 13.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.076 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 80.2 m80 . . . . . 0 C--N 1.311 -1.099 0 CA-C-O 118.461 -0.78 . . . . 0.0 110.153 179.75 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.1 mtm . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 120.663 0.268 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 p -89.02 -22.49 22.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.193 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.5 tp 66.3 8.86 5.94 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.521 0.728 . . . . 0.0 111.338 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.98 165.83 36.01 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 p -152.46 150.0 29.16 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 117.062 0.431 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -99.4 13.79 32.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.714 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 m -65.32 -15.9 63.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.766 -175.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -69.24 -11.87 61.18 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 121.394 0.616 . . . . 0.0 111.714 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 m -66.54 -32.17 73.35 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.485 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.67 50.38 1.43 Allowed Glycine 0 C--N 1.34 0.755 0 CA-C-N 115.772 -0.649 . . . . 0.0 114.333 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -120.52 8.75 10.75 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.322 0.582 . . . . 0.0 110.113 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.02 142.62 38.26 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.964 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.8 m -120.5 159.84 21.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.044 0.449 . . . . 0.0 111.429 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.7 t -110.63 115.23 49.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.9 t -112.79 129.77 67.81 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.349 -178.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -147.41 170.04 18.22 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.27 -30.58 4.71 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.861 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -99.34 -170.2 1.87 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.833 0.349 . . . . 0.0 111.453 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.711 ' O ' HG13 ' A' ' 22' ' ' ILE . 75.5 ttt180 -119.56 153.17 35.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.77 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.562 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -67.11 -30.3 70.28 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.052 -0.405 . . . . 0.0 112.009 -179.228 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.17 -25.95 67.37 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.711 HG13 ' O ' ' A' ' 19' ' ' ARG . 2.8 pp -86.55 22.1 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -176.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.5 m -57.47 -45.58 84.65 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.356 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.493 ' HE3' ' HB2' ' A' ' 41' ' ' GLU . 39.9 mmtm -58.74 -41.18 85.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.851 0.358 . . . . 0.0 111.363 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -70.81 -60.98 1.94 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.93 -177.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.2 tt -65.76 -27.66 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.056 -174.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 42.0 tp -63.02 -35.46 80.31 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.391 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.62 -37.59 70.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.67 0.271 . . . . 0.0 111.323 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -90.85 -46.04 8.44 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -79.04 -5.77 54.78 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -176.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -58.8 -23.8 60.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.676 0.274 . . . . 0.0 111.265 177.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -66.04 -22.04 66.41 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.943 0.402 . . . . 0.0 110.274 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -89.99 -55.75 3.5 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.241 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.47 -134.57 4.11 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 119.388 -1.387 . . . . 0.0 114.723 177.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.494 ' CD ' HG13 ' A' ' 66' ' ' ILE . 36.1 tt0 -67.43 123.75 21.27 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.665 1.186 . . . . 0.0 111.197 -176.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.404 HD12 ' O ' ' A' ' 35' ' ' GLU . 9.2 mm -134.45 145.51 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -178.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.562 ' CD1' ' HA ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER 50.77 -107.57 0.3 Allowed 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 177.41 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.452 ' HG3' ' HB2' ' A' ' 65' ' ' ARG . 35.2 tt0 -169.31 -54.16 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.889 0.376 . . . . 0.0 111.506 -174.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.93 74.16 8.93 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.76 -74.99 0.13 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.037 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.493 ' HB2' ' HE3' ' A' ' 24' ' ' LYS . 46.0 mt-10 65.05 -74.78 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.568 0.747 . . . . 0.0 111.965 -179.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 t -117.01 111.69 19.93 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' CD ' ' H ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -105.55 -93.61 0.36 Allowed 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.215 -178.324 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.41 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 87.4 mt -118.16 -35.11 3.91 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.757 -177.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.441 ' O ' ' HB3' ' A' ' 46' ' ' ASP . . . 93.36 98.42 1.49 Allowed Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -175.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.572 ' O ' HG23 ' A' ' 47' ' ' THR . 25.7 t70 75.46 169.12 0.28 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.032 0.533 . . . . 0.0 110.25 -176.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 46' ' ' ASP . 0.6 OUTLIER 70.24 17.79 7.03 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.927 0.891 . . . . 0.0 111.284 -179.711 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -62.21 -33.27 74.25 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.957 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.5 p -79.31 -3.03 44.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.805 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 97.0 mmm -107.69 16.93 23.19 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 31' ' ' ALA . 2.5 mpt_? -113.41 -1.66 14.14 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.9 p -136.2 162.94 53.61 Favored Pre-proline 0 C--N 1.305 -1.355 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.442 -178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.569 ' HD2' ' CE2' ' A' ' 55' ' ' TYR . 34.0 Cg_exo -63.56 -19.15 67.13 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.749 2.299 . . . . 0.0 111.776 177.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.78 59.96 0.05 OUTLIER Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 115.402 -0.817 . . . . 0.0 113.211 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.569 ' CE2' ' HD2' ' A' ' 53' ' ' PRO . 25.3 p90 -152.86 159.81 43.04 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -111.95 141.23 45.86 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.461 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.418 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 32.0 p90 -85.08 -16.73 39.63 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.881 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 57' ' ' PHE . 79.5 mt-30 74.96 97.89 0.07 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.525 0.73 . . . . 0.0 110.66 -176.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -75.06 87.32 2.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.559 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.08 120.25 1.68 Allowed Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.312 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.6 -24.84 76.83 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 123.36 2.707 . . . . 0.0 112.775 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -84.13 -3.83 58.37 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.967 0.413 . . . . 0.0 110.903 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -118.34 -171.65 2.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.783 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -69.78 117.56 11.53 Favored 'General case' 0 N--CA 1.432 -1.364 0 CA-C-N 115.124 -0.943 . . . . 0.0 108.925 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.452 ' HB2' ' HG3' ' A' ' 38' ' ' GLU . 3.0 mpt_? -75.33 -24.52 57.38 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.534 0.683 . . . . 0.0 109.704 -177.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.494 HG13 ' CD ' ' A' ' 35' ' ' GLU . 10.2 tt -135.38 142.86 38.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.334 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.1 m -58.94 -42.58 90.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.868 -177.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -92.41 151.18 20.38 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.593 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.71 132.32 42.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.421 0.629 . . . . 0.0 111.014 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -106.48 125.15 50.64 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.534 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.76 -119.59 0.87 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.609 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -86.94 -82.98 0.2 Allowed 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 121.233 0.54 . . . . 0.0 110.639 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.4 p -114.85 9.86 16.32 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.234 -177.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -110.97 137.41 48.63 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.091 0.472 . . . . 0.0 111.057 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.9 m -130.5 129.76 43.32 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.96 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -96.27 114.15 25.81 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.36 -0.536 . . . . 0.0 109.571 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.1 mt -96.69 121.44 38.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.988 0.423 . . . . 0.0 110.397 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.2 m -111.72 112.0 23.39 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.737 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -108.13 -12.17 15.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.227 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 66.53 -1.19 1.33 Allowed 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.409 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -116.82 132.5 56.68 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.819 0.342 . . . . 0.0 110.107 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -64.87 -36.04 83.08 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.597 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.1 t -59.81 -50.27 74.47 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -67.01 -36.74 82.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.389 0.614 . . . . 0.0 110.328 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.454 ' OH ' ' HB3' ' A' ' 105' ' ' PRO . 19.5 t80 -58.66 -50.67 73.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.805 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.0 tp -67.84 -39.46 83.83 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.466 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.27 -20.72 64.8 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.019 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.33 -25.93 68.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.743 0.306 . . . . 0.0 111.74 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 103' ' ' CYS . 11.1 mp -74.62 -5.3 42.19 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.886 0.474 . . . . 0.0 111.884 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -52.86 139.02 28.26 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 121.482 0.658 . . . . 0.0 112.281 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -79.66 1.38 26.51 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.792 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -69.23 -17.67 63.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.497 ' C ' HG13 ' A' ' 101' ' ' ILE . . . -65.19 -43.93 94.68 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 173.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.484 HG21 ' O ' ' A' ' 93' ' ' GLY . 3.1 t 54.65 -165.04 0.1 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 170.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.488 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 91.9 mt -74.24 103.13 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.413 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.448 ' C ' ' H ' ' A' ' 98' ' ' GLY . 2.7 t80 -111.09 129.13 56.02 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.489 -178.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.5 t 71.46 -36.4 0.36 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.207 0.603 . . . . 0.0 111.883 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 96' ' ' TYR . . . 169.88 -17.08 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.886 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.5 153.68 50.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.083 0.442 . . . . 0.0 111.177 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -70.54 152.43 43.98 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.676 178.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.497 HG13 ' C ' ' A' ' 93' ' ' GLY . 1.3 mt -82.94 119.73 32.98 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.6 103.95 2.22 Favored Glycine 0 N--CA 1.438 -1.181 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.323 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.436 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 14.2 m -109.03 110.22 21.44 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.6 m -113.3 158.16 39.07 Favored Pre-proline 0 C--N 1.31 -1.114 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.66 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.454 ' HB3' ' OH ' ' A' ' 85' ' ' TYR . 27.2 Cg_exo -62.46 150.87 85.93 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.467 2.111 . . . . 0.0 110.93 176.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -59.0 115.13 2.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.187 0.518 . . . . 0.0 110.986 -178.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -120.04 117.52 28.23 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.177 178.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.6 -41.11 94.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.842 -177.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -63.33 -42.95 99.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.373 . . . . 0.0 110.398 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.441 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 62.2 tp -62.33 -42.7 99.6 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.001 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.4 mm -62.46 -42.76 96.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.124 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 6.2 t -59.89 -48.84 80.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.001 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.34 -41.13 98.86 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.411 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 89.3 mt -63.54 -43.29 97.54 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.386 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.6 m -66.24 -40.25 90.11 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.695 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 112' ' ' SER . 99.5 mtt180 -64.53 -41.27 96.48 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.623 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 57.07 36.95 28.34 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.491 0.662 . . . . 0.0 111.46 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 96.26 7.79 58.06 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.37 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -76.61 114.35 15.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -126.17 -172.31 2.59 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -102.42 174.57 5.85 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.717 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -69.6 102.69 1.91 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -92.82 -31.21 15.09 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.917 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 C--N 1.32 -0.702 0 CA-C-O 118.409 -0.805 . . . . 0.0 110.02 -177.841 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 120.621 0.248 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -86.11 96.5 9.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.569 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.7 mp 55.18 -89.11 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.822 0.849 . . . . 0.0 112.654 177.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.88 -22.57 5.42 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p 64.64 -50.56 0.31 Allowed 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 125.201 1.4 . . . . 0.0 113.329 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 62.26 42.06 9.76 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.696 0.76 . . . . 0.0 109.47 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.1 p -114.95 -149.26 0.44 Allowed 'General case' 0 N--CA 1.414 -2.24 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.135 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 55.65 32.31 19.03 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.907 0.483 . . . . 0.0 111.283 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.7 m 71.66 -68.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 123.857 0.863 . . . . 0.0 110.877 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 54.13 -121.41 19.18 Favored Glycine 0 C--N 1.318 -0.465 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.515 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -108.68 13.47 25.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.823 0.344 . . . . 0.0 110.569 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.55 130.94 36.53 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.134 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.9 m -130.93 160.76 41.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.301 -177.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.6 t -109.12 112.93 42.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.198 177.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.613 HG23 ' SG ' ' A' ' 103' ' ' CYS . 21.4 t -99.74 130.22 49.15 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.893 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -147.76 172.06 14.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.437 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.44 2.21 56.61 Favored Glycine 0 C--O 1.226 -0.363 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.008 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.434 ' HB2' HD12 ' A' ' 22' ' ' ILE . 54.5 p90 -117.41 157.89 25.41 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.593 ' O ' HG12 ' A' ' 22' ' ' ILE . 57.1 ttp180 -125.04 153.39 42.93 Favored 'General case' 0 C--N 1.309 -1.19 0 C-N-CA 120.516 -0.474 . . . . 0.0 109.762 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -49.93 -32.6 15.17 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.13 -25.39 63.82 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 19' ' ' ARG . 28.7 pt -88.35 30.78 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 122.073 -0.392 . . . . 0.0 110.995 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -43.9 -73.5 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -174.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -61.05 -40.36 93.35 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -52.63 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.1 tt -73.24 -27.12 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.0 tp -61.8 -45.87 91.98 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 120.688 0.28 . . . . 0.0 110.632 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.13 -27.13 68.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.319 -0.401 . . . . 0.0 112.039 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -91.62 -49.13 6.46 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -90.83 -19.89 22.91 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -173.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 51' ' ' ARG . . . -65.28 -12.07 47.89 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -177.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -63.96 -30.25 71.34 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.802 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -123.33 -12.79 7.77 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.05 116.9 0.63 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.943 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.6 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 41.6 mt-10 -73.28 119.81 18.03 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 120.966 0.412 . . . . 0.0 110.554 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 8.8 mt -107.68 164.39 5.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.735 -178.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 80.8 mt 71.82 -107.35 0.04 OUTLIER 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 123.19 0.596 . . . . 0.0 111.577 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 45.9 mt-10 -164.13 -67.77 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.038 0.935 . . . . 0.0 109.231 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.605 ' CG ' ' H ' ' A' ' 40' ' ' LEU . 17.5 t70 62.74 -169.82 0.18 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.426 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.605 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -160.8 3.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -173.718 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -131.97 159.37 38.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.225 0.536 . . . . 0.0 111.201 -172.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.542 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 57.9 m -88.66 91.29 8.75 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.839 175.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -61.06 -48.67 80.67 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.747 0.784 . . . . 0.0 109.166 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 63.9 mt -89.03 105.08 17.55 Favored 'General case' 0 N--CA 1.421 -1.912 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.49 -66.17 1.53 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.702 -175.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -64.71 -35.33 80.69 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.463 ' OG1' ' HB3' ' A' ' 44' ' ' LEU . 19.6 p -83.07 -84.28 0.13 Allowed 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.441 177.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 41.8 tt0 66.39 -38.31 0.3 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.036 0.934 . . . . 0.0 112.719 178.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.437 ' H ' ' C ' ' A' ' 47' ' ' THR . 71.6 p -65.55 -28.09 68.91 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.298 0.571 . . . . 0.0 109.903 177.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 61.2 ttp -87.36 76.32 9.11 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.553 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.6 ' HD3' ' OE2' ' A' ' 35' ' ' GLU . 86.8 mtt180 -129.4 -140.75 0.24 Allowed 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 175.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 m -53.45 118.3 14.22 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.92 38.33 0.52 Allowed 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.735 2.957 . . . . 0.0 112.926 -175.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -144.25 -58.75 0.02 OUTLIER Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -157.24 165.96 34.48 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -92.35 147.33 23.0 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 123.627 0.579 . . . . 0.0 109.61 178.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -74.19 147.85 42.18 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.305 0.574 . . . . 0.0 112.414 -175.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -122.22 115.55 22.58 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 175.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.64 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 62.9 tt0 -66.36 -54.44 24.44 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -175.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 63.76 149.86 0.11 Allowed Pre-proline 0 C--N 1.314 -0.943 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.256 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.45 100.96 0.82 Allowed 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.12 1.88 . . . . 0.0 112.655 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 56.3 34.65 24.45 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.468 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.459 ' HB3' ' H ' ' A' ' 64' ' ' ARG . 99.6 mtt180 -119.77 -153.31 0.53 Allowed 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.459 ' H ' ' HB3' ' A' ' 63' ' ' ARG . 89.0 mtm180 -55.88 101.02 0.05 OUTLIER 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.64 ' O ' ' HA ' ' A' ' 59' ' ' GLN . 71.8 mtt180 -63.39 -38.85 92.76 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -172.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.7 pt -120.57 -38.63 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-O 121.409 0.624 . . . . 0.0 109.64 175.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 t 170.94 -42.57 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 114.402 -1.272 . . . . 0.0 107.716 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.17 149.82 41.63 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.234 -1.348 . . . . 0.0 109.075 177.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.19 151.94 38.43 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.545 0.688 . . . . 0.0 112.526 -176.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -128.13 143.86 51.08 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.001 -0.999 . . . . 0.0 108.85 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.55 134.67 8.38 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.07 -1.062 . . . . 0.0 111.892 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 51.32 -90.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.1 p -132.58 18.67 4.3 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.955 -177.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -135.2 143.44 46.4 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.993 0.425 . . . . 0.0 112.013 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 t -144.66 148.5 34.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.598 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.422 ' NZ ' ' HB3' ' A' ' 76' ' ' LYS . 2.2 ttpm? -107.06 104.19 13.79 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.466 ' H ' HD22 ' A' ' 77' ' ' LEU . 2.6 pt? -115.23 154.99 28.04 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.216 0.531 . . . . 0.0 111.476 -177.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.8 m -103.1 123.53 46.83 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.817 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -92.56 -3.67 54.69 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 68.12 -48.81 0.54 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.002 0.921 . . . . 0.0 113.022 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -96.06 142.27 28.46 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.021 0.438 . . . . 0.0 110.889 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.526 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 22.1 t60 -74.94 -25.35 58.82 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.847 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.7 m -60.44 -41.06 93.27 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.281 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.4 m -68.77 -24.23 64.41 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.952 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.526 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 88.8 t80 -59.18 -46.99 86.97 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.589 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.18 -42.36 88.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.807 0.337 . . . . 0.0 111.641 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.426 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 94.2 mtt180 -66.1 -40.91 91.12 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.22 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.2 -12.12 59.97 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.45 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.5 tp -63.73 -4.54 3.18 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.515 0.726 . . . . 0.0 111.864 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 87' ' ' ARG . 18.8 mmt180 -37.88 130.78 1.09 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.677 0.791 . . . . 0.0 111.838 178.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -136.4 -153.88 0.52 Allowed 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.301 -177.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -55.19 124.09 15.83 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.828 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.37 -26.74 5.97 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.6 m -92.59 91.09 7.4 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.452 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 98.9 mt -94.08 125.52 46.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.426 -178.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -129.09 126.42 39.32 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.823 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.0 t 66.95 9.98 7.29 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.048 0.539 . . . . 0.0 111.936 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.01 -9.49 21.0 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.28 -0.962 . . . . 0.0 113.589 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.38 153.14 51.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 117.068 0.434 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -89.2 129.52 35.77 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.818 0.342 . . . . 0.0 110.834 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 40.4 pt -89.26 142.29 13.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.909 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -120.82 123.89 5.7 Favored Glycine 0 N--CA 1.435 -1.408 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.552 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.613 ' SG ' HG23 ' A' ' 15' ' ' VAL . 49.6 t -130.18 125.78 35.82 Favored 'General case' 0 N--CA 1.433 -1.275 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.42 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 30.7 m -134.14 160.94 66.58 Favored Pre-proline 0 C--N 1.312 -1.024 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.42 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 18.9 Cg_endo -60.13 153.09 61.01 Favored 'Trans proline' 0 C--O 1.239 0.569 0 C-N-CA 122.439 2.093 . . . . 0.0 111.305 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -55.21 124.68 17.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.174 0.512 . . . . 0.0 111.959 -178.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -134.75 138.29 44.21 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.241 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -65.55 -41.45 92.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.621 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.85 -40.27 94.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.634 -177.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 58.0 tp -60.77 -46.42 90.54 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 120.805 0.336 . . . . 0.0 110.365 -179.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.8 mm -64.99 -43.25 96.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.641 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.0 m -61.1 -46.81 89.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.991 -178.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.2 -36.96 80.38 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.14 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 93.3 mt -63.55 -42.76 98.35 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.884 177.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.9 m -71.23 -43.29 67.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.476 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 55.5 mmt-85 -68.23 -36.75 79.98 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 61.77 64.6 1.01 Allowed 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.385 0.612 . . . . 0.0 110.811 179.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -141.96 -147.03 4.77 Favored Glycine 0 N--CA 1.429 -1.82 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.502 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -153.32 153.0 31.76 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -73.26 -17.5 61.33 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.834 0.35 . . . . 0.0 111.887 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -110.39 139.93 45.1 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -118.35 16.43 13.9 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.399 0.619 . . . . 0.0 110.191 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -78.36 101.51 7.26 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.683 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.675 -0.679 . . . . 0.0 110.978 -179.514 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 p -71.52 132.03 44.12 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.4 tp 50.2 76.54 0.14 Allowed 'General case' 0 CA--C 1.533 0.3 0 O-C-N 123.865 0.728 . . . . 0.0 111.638 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.99 131.74 10.39 Favored Glycine 0 N--CA 1.441 -0.971 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 p -80.19 146.6 31.67 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 120.993 0.425 . . . . 0.0 111.592 -178.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -97.64 4.95 50.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.436 0.636 . . . . 0.0 110.079 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.2 t -94.85 22.66 6.2 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.626 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -94.79 15.18 19.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.007 0.432 . . . . 0.0 111.575 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.3 m -62.46 -47.78 82.51 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.673 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.13 -130.37 38.51 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.978 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -108.47 13.69 25.24 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.734 0.302 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.91 129.92 34.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.938 0.399 . . . . 0.0 111.196 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -116.1 153.97 17.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.209 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.3 t -111.74 118.14 56.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.527 HG11 ' SG ' ' A' ' 103' ' ' CYS . 3.0 t -113.23 130.19 67.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -144.08 169.2 18.31 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.743 -178.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.59 19.52 12.1 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.867 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.534 ' OH ' ' HB ' ' A' ' 75' ' ' THR . 16.3 p90 -135.88 158.48 44.31 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 122.304 0.242 . . . . 0.0 110.402 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.2 ttm-85 -102.29 158.31 16.28 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.459 ' HA ' HD21 ' A' ' 37' ' ' LEU . 33.4 tt0 -67.72 -4.34 11.95 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.091 0.556 . . . . 0.0 111.968 -175.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.65 -13.76 29.07 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.428 HD13 ' HB2' ' A' ' 18' ' ' TYR . 13.3 pt -99.42 30.98 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.811 -177.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.535 HG22 ' HB2' ' A' ' 37' ' ' LEU . 6.9 m -60.34 -52.17 66.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -173.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HZ3' ' HB2' ' A' ' 41' ' ' GLU . 60.6 mmtt -63.45 -40.88 98.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.125 0.488 . . . . 0.0 110.652 -177.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -62.55 -56.91 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.719 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.2 tt -69.02 -30.71 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.94 -176.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.497 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 53.1 tp -62.33 -45.45 93.15 Favored 'General case' 0 C--O 1.206 -1.19 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.039 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -22.79 65.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.03 0.443 . . . . 0.0 111.54 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -86.78 -47.04 9.42 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.722 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -93.99 -4.93 48.75 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 27' ' ' LEU . . . -48.39 -27.22 2.47 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 114.052 1.131 . . . . 0.0 114.052 -174.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -61.73 -30.75 70.98 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.098 0.475 . . . . 0.0 110.75 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -158.89 53.32 0.41 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.455 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.59 124.35 0.94 Allowed Glycine 0 C--N 1.337 0.586 0 C-N-CA 119.845 -1.169 . . . . 0.0 113.807 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 83.1 tt0 -102.3 90.0 3.76 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.06 128.05 43.94 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.838 -171.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.535 ' HB2' HG22 ' A' ' 23' ' ' THR . 10.0 mp 64.67 -169.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.111 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -124.08 16.63 9.23 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -173.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -121.49 80.87 1.72 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.664 0.745 . . . . 0.0 110.67 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.4 mt -87.87 -68.12 0.78 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.787 -175.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' HB2' ' HZ3' ' A' ' 24' ' ' LYS . 61.6 mm-40 54.97 -92.48 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.99 0.916 . . . . 0.0 112.488 -179.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 m -91.85 102.3 14.89 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' HB3' HD11 ' A' ' 44' ' ' LEU . 27.3 mt-10 -100.2 -105.81 0.23 Allowed 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.075 -174.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.721 ' HB2' ' OE1' ' A' ' 48' ' ' GLU . 3.3 mp -118.66 -74.13 0.62 Allowed 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.474 -176.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.18 -169.78 13.2 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.987 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -105.01 -1.41 25.77 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.716 0.293 . . . . 0.0 111.447 -178.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.1 t -83.25 0.62 44.77 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.709 0.766 . . . . 0.0 109.807 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.721 ' OE1' ' HB2' ' A' ' 44' ' ' LEU . 47.8 mt-10 -89.57 26.44 1.72 Allowed 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.765 -177.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.7 m -63.43 -32.15 73.51 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 172.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.9 ttp -104.98 89.42 3.14 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 114.175 -1.375 . . . . 0.0 109.894 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.735 ' HB3' ' O ' ' A' ' 57' ' ' PHE . 84.4 mtt180 -118.14 140.58 49.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.603 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.575 ' OG1' ' HD2' ' A' ' 53' ' ' PRO . 1.9 t 168.94 158.62 0.17 Allowed Pre-proline 0 C--O 1.242 0.663 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -176.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.61 ' HG3' ' O ' ' A' ' 79' ' ' TYR . 5.8 Cg_exo -45.0 128.31 9.16 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 123.286 2.657 . . . . 0.0 112.068 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.58 -20.86 38.35 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -178.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -115.98 -68.16 0.94 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.447 ' HB2' ' HG2' ' A' ' 51' ' ' ARG . 93.5 m-85 -153.06 -163.13 1.62 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.735 ' O ' ' HB3' ' A' ' 51' ' ' ARG . 24.8 p90 -76.37 149.64 36.93 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.724 176.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.654 ' O ' ' HD3' ' A' ' 65' ' ' ARG . 4.9 pm0 -63.68 15.05 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 115.71 1.745 . . . . 0.0 115.71 -172.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.501 ' CG ' ' HA ' ' A' ' 64' ' ' ARG . 1.3 tm0? -71.09 140.22 50.6 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.335 0.588 . . . . 0.0 111.033 -178.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.485 ' HB1' ' HD2' ' A' ' 65' ' ' ARG . . . -83.13 146.17 50.84 Favored Pre-proline 0 C--N 1.306 -1.317 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.896 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -56.99 -24.62 58.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.592 2.194 . . . . 0.0 112.898 -177.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -88.42 -50.85 6.06 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.923 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -138.95 156.3 47.35 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.501 ' HA ' ' CG ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -59.03 139.59 56.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.098 173.369 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.654 ' HD3' ' O ' ' A' ' 58' ' ' GLN . 65.6 mtp180 -111.17 4.63 19.43 Favored 'General case' 0 CA--C 1.5 -0.964 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.55 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.551 HG23 ' H ' ' A' ' 67' ' ' SER . 6.3 tt -50.64 -72.58 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 O-C-N 123.67 0.606 . . . . 0.0 110.679 178.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.551 ' H ' HG23 ' A' ' 66' ' ' ILE . 17.1 t 46.01 21.78 0.11 Allowed 'General case' 0 CA--C 1.561 1.383 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 177.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -83.35 147.52 27.87 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 122.027 -0.421 . . . . 0.0 110.652 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -75.22 111.56 10.59 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 121.332 0.587 . . . . 0.0 110.154 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.479 ' HA ' ' CZ3' ' A' ' 74' ' ' TRP . 6.1 p-80 -148.78 167.64 25.06 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.114 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.09 -140.55 8.35 Favored Glycine 0 N--CA 1.435 -1.432 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -104.41 146.29 29.05 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 18' ' ' TYR . 30.5 p 72.19 -11.2 0.81 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 124.625 1.17 . . . . 0.0 113.184 -178.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.479 ' CZ3' ' HA ' ' A' ' 70' ' ' HIS . 60.3 p-90 -134.46 129.53 35.36 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.969 0.414 . . . . 0.0 111.037 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.534 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 53.0 m -135.67 134.79 39.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.253 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -93.59 128.47 39.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.666 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.6 mt -112.47 119.75 39.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.794 0.331 . . . . 0.0 111.72 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.0 m -114.37 126.32 54.86 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.833 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.61 ' O ' ' HG3' ' A' ' 53' ' ' PRO . 25.5 m-85 -113.89 -4.2 13.32 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.589 0.356 . . . . 0.0 110.298 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.22 -5.28 1.36 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.269 0.628 . . . . 0.0 112.003 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -129.03 142.51 50.89 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.745 0.307 . . . . 0.0 111.222 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.5 p-80 -73.92 -19.19 60.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.945 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.3 m -60.36 -43.88 96.11 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.158 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 t -79.06 -25.0 43.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -59.24 -48.66 80.8 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.454 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.2 tp -64.18 -42.53 96.64 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.359 -176.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -69.82 -36.75 75.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.25 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.15 -12.12 60.5 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.427 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.28 -39.83 88.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.652 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 56.75 -120.65 1.44 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.113 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 54.48 41.74 31.77 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 121.928 0.87 . . . . 0.0 110.341 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -120.8 44.59 2.45 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.13 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.67 38.93 50.01 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.415 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.8 m -83.49 98.5 9.57 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.251 0.548 . . . . 0.0 111.638 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 94.8 mt -109.16 125.53 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.527 178.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -132.67 131.71 41.6 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 93.5 m 63.81 20.99 12.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.003 0.43 . . . . 0.0 111.756 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.18 -5.89 61.39 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.706 -0.759 . . . . 0.0 114.031 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.2 152.81 52.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.459 0.63 . . . . 0.0 111.22 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.43 134.82 33.73 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.1 pt -91.83 150.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.744 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.61 128.29 9.52 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 120.172 -1.013 . . . . 0.0 111.77 -178.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.527 ' SG ' HG11 ' A' ' 15' ' ' VAL . 35.0 m -131.7 111.38 11.62 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.408 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 19.5 m -139.6 159.27 66.08 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.906 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 21.9 Cg_endo -61.83 150.45 85.98 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.658 2.239 . . . . 0.0 111.7 177.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.512 ' CE1' HG13 ' A' ' 111' ' ' ILE . 73.3 t80 -56.46 117.73 4.12 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.227 0.536 . . . . 0.0 111.753 -177.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.466 ' O ' HG12 ' A' ' 111' ' ' ILE . 64.3 mttp -114.84 137.05 52.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.506 177.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -65.03 -46.08 82.82 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.616 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -67.81 -37.55 82.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.215 -178.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 64.5 tp -61.01 -44.64 97.13 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.972 0.415 . . . . 0.0 110.151 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.512 HG13 ' CE1' ' A' ' 106' ' ' TYR . 46.6 mm -63.66 -38.59 82.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.583 177.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.514 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 7.3 t -58.26 -45.86 87.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.442 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -66.55 -42.64 86.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.075 0.464 . . . . 0.0 110.515 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.411 ' HB3' ' CE2' ' A' ' 74' ' ' TRP . 93.3 mt -63.58 -41.02 98.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.931 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.0 t -63.92 -24.26 67.66 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.486 -178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 112' ' ' SER . 28.7 mmt180 -66.44 -35.15 79.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.678 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 61.55 32.17 18.75 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.426 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -96.13 31.64 7.17 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.523 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 70.49 143.2 0.05 Allowed 'General case' 0 C--N 1.349 0.562 0 C-N-CA 123.77 0.828 . . . . 0.0 110.512 -178.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -64.29 120.55 12.4 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -62.91 133.18 54.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.002 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -65.36 108.02 1.82 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.349 0.595 . . . . 0.0 110.143 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -78.15 107.61 10.85 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.879 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.8 t60 . . . . . 0 C--N 1.313 -0.984 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.724 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 120.392 0.139 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -67.99 -41.5 82.22 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -127.42 140.08 52.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.162 0.506 . . . . 0.0 112.125 -178.56 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.95 -38.33 2.03 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.603 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 p -154.55 137.49 15.44 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -91.32 71.58 6.13 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-O 121.616 0.722 . . . . 0.0 110.052 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.1 p -126.75 -171.59 2.44 Favored 'General case' 0 N--CA 1.4 -2.937 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -105.73 27.79 8.13 Favored 'General case' 0 C--N 1.285 -2.214 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.128 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 m -78.33 56.42 1.72 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 121.298 0.571 . . . . 0.0 111.294 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.08 -14.82 10.49 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.864 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.454 ' ND2' ' HA ' ' A' ' 80' ' ' ALA . 31.2 p-10 -106.45 17.66 23.04 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.143 0.497 . . . . 0.0 110.903 -179.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.37 144.58 46.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.208 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.9 m -128.73 162.44 35.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.212 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.17 119.88 53.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.478 HG13 ' SG ' ' A' ' 103' ' ' CYS . 20.3 t -102.35 127.21 56.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -144.86 164.43 31.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.545 0.212 . . . . 0.0 111.462 -178.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.69 23.06 7.02 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.761 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.452 ' OH ' HG22 ' A' ' 75' ' ' THR . 26.7 p90 -147.15 167.22 24.7 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 122.727 0.411 . . . . 0.0 110.287 -177.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -118.91 158.99 24.62 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HA ' HD23 ' A' ' 37' ' ' LEU . 39.1 tt0 -78.08 46.35 0.59 Allowed 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.903 0.859 . . . . 0.0 111.108 -176.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.99 -7.75 3.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.502 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.8 pt -106.91 34.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.434 -177.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.438 HG21 ' HA ' ' A' ' 39' ' ' ASP . 23.2 m -50.94 -73.67 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.565 0 O-C-N 123.364 0.415 . . . . 0.0 112.039 -176.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.649 ' HD3' ' OE1' ' A' ' 43' ' ' GLU . 40.4 mmtm -50.58 -34.88 27.47 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.277 0.631 . . . . 0.0 112.078 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.471 ' HB3' ' OH ' ' A' ' 96' ' ' TYR . 59.7 mt-30 -66.61 -71.59 0.19 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.962 -176.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.9 tt -70.37 -31.92 48.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -175.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.535 HD11 ' H ' ' A' ' 36' ' ' ILE . 45.9 tp -60.99 -37.29 81.96 Favored 'General case' 0 C--O 1.211 -0.974 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.735 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.486 ' HA ' ' CD2' ' A' ' 44' ' ' LEU . . . -54.42 -25.73 26.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -90.83 -46.35 8.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -94.94 -10.18 31.85 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -174.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -55.36 -34.58 64.41 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -173.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -64.59 -20.65 66.38 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 120.762 0.315 . . . . 0.0 111.226 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -120.49 -5.88 9.79 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.499 ' O ' ' HA ' ' A' ' 31' ' ' ALA . . . 171.74 158.1 15.07 Favored Glycine 0 C--O 1.224 -0.527 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.592 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' OE1' ' HD2' ' A' ' 51' ' ' ARG . 24.2 mm-40 -100.82 143.03 31.47 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 122.626 -0.338 . . . . 0.0 111.041 -177.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.535 ' H ' HD11 ' A' ' 27' ' ' LEU . 62.4 mt -132.2 133.84 60.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.027 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.519 ' HG ' HG21 ' A' ' 36' ' ' ILE . 70.4 mt 72.98 -177.71 0.19 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.403 0.681 . . . . 0.0 112.806 177.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -81.51 93.48 6.68 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.948 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.438 ' HA ' HG21 ' A' ' 23' ' ' THR . 0.2 OUTLIER -88.67 171.4 10.04 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.076 177.551 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.708 ' HG ' ' OE2' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -135.7 30.96 3.1 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.335 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' HB3' ' O ' ' A' ' 40' ' ' LEU . 38.2 tt0 85.24 -53.0 0.09 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.413 0.685 . . . . 0.0 112.543 172.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.526 ' O ' ' HE3' ' A' ' 24' ' ' LYS . 37.3 m -90.18 86.72 6.61 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 177.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.708 ' OE2' ' HG ' ' A' ' 40' ' ' LEU . 59.1 mm-40 -118.63 -34.58 3.95 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.031 -173.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 48' ' ' GLU . 62.3 mt -115.06 -165.98 1.07 Allowed 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.486 -175.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.3 -108.12 1.87 Allowed Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.47 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.99 -36.89 85.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.883 0.373 . . . . 0.0 111.594 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.506 HG22 ' O ' ' A' ' 47' ' ' THR . 9.8 m -94.72 29.93 2.19 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.681 0.753 . . . . 0.0 111.649 -177.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 42.0 tt0 -87.68 -10.26 51.79 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.255 0.55 . . . . 0.0 110.869 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 p -67.36 -22.07 65.59 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.9 ttp -121.31 92.57 3.78 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.789 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.46 ' HD2' ' OE1' ' A' ' 35' ' ' GLU . 26.4 mtm180 -125.6 137.47 53.9 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.768 173.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER 61.69 120.21 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 123.946 0.898 . . . . 0.0 111.562 -176.206 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.7 ' HG2' ' O ' ' A' ' 79' ' ' TYR . 36.4 Cg_exo -62.19 -19.32 66.27 Favored 'Trans proline' 0 C--N 1.326 -0.63 0 C-N-CA 123.419 2.746 . . . . 0.0 111.508 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.03 3.62 70.1 Favored Glycine 0 C--N 1.308 -1.01 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.588 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 73.38 87.29 0.1 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.068 0.947 . . . . 0.0 112.631 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 61.73 119.59 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -62.24 -45.07 94.96 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.563 -1.199 . . . . 0.0 111.168 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 62.66 99.0 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.982 0.913 . . . . 0.0 111.374 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -65.5 -38.5 89.92 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.499 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 58.08 104.34 0.03 OUTLIER Pre-proline 0 C--N 1.313 -0.999 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.941 -176.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.503 ' O ' ' HB3' ' A' ' 62' ' ' ASN . 51.7 Cg_exo -54.12 139.46 71.51 Favored 'Trans proline' 0 C--O 1.238 0.503 0 C-N-CA 122.234 1.956 . . . . 0.0 112.256 -177.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.503 ' HB3' ' O ' ' A' ' 61' ' ' PRO . 21.3 t-20 80.64 -15.49 0.74 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.047 0.939 . . . . 0.0 111.416 -177.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.2 mtt85 -104.54 -158.74 0.68 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.491 0.663 . . . . 0.0 112.153 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -78.99 116.9 19.58 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.786 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -64.69 -40.51 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 110.872 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.2 tt -112.38 116.0 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-O 121.427 0.632 . . . . 0.0 109.755 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.8 t -84.17 55.73 3.45 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.705 0.764 . . . . 0.0 109.534 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -143.07 151.0 40.3 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.385 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' HB3' ' HE2' ' A' ' 76' ' ' LYS . 43.7 tt0 -74.89 123.27 24.77 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.099 0.476 . . . . 0.0 110.509 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -139.65 155.8 47.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.043 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.08 -114.82 3.51 Favored Glycine 0 N--CA 1.44 -1.047 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 177.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -105.57 -72.25 0.72 Allowed 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 120.961 0.41 . . . . 0.0 111.018 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -105.09 11.44 33.26 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.145 -178.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -142.73 152.54 42.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.673 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.452 HG22 ' OH ' ' A' ' 18' ' ' TYR . 12.2 t -143.49 146.39 33.36 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 69' ' ' GLU . 36.8 ttpt -85.35 103.17 14.02 Favored 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 174.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.496 HD22 ' HA3' ' A' ' 34' ' ' GLY . 3.8 tt -95.55 121.45 37.25 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.423 0.63 . . . . 0.0 110.142 -173.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.47 ' N ' HD23 ' A' ' 77' ' ' LEU . 46.2 m -95.66 96.72 9.21 Favored 'General case' 0 N--CA 1.424 -1.736 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.721 178.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.7 ' O ' ' HG2' ' A' ' 53' ' ' PRO . 89.7 m-85 -72.36 -26.76 62.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.066 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.454 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . . . 73.18 -53.51 0.7 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.261 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.25 138.86 45.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.059 0.457 . . . . 0.0 111.441 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -80.99 -22.22 39.65 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.393 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.1 p -61.37 -45.93 92.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.811 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.5 t -86.7 -11.94 49.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.85 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.22 -47.14 87.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.951 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.16 -40.28 94.1 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.672 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -65.08 -22.59 66.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.585 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.527 ' O ' ' HB2' ' A' ' 103' ' ' CYS . . . -64.55 -21.35 66.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.564 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.26 -6.71 51.19 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.726 -178.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.433 ' HG3' HH11 ' A' ' 90' ' ' ARG . 8.0 ptm180 -46.56 124.02 5.54 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.234 0.54 . . . . 0.0 111.286 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -128.37 -6.01 5.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.499 -176.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -61.49 100.54 0.14 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -175.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 38.53 65.42 0.74 Allowed Glycine 0 N--CA 1.472 1.066 0 CA-C-N 115.114 -0.948 . . . . 0.0 114.688 175.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.535 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 23.3 m -116.79 90.12 3.26 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.89 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 93.4 mt -106.34 119.39 55.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.471 ' OH ' ' HB3' ' A' ' 25' ' ' GLN . 9.1 t80 -137.19 133.37 35.1 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -177.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.9 t 67.51 16.43 9.94 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.16 0.505 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.06 -17.03 35.48 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.929 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.36 159.26 42.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.523 0.662 . . . . 0.0 111.605 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.535 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -76.53 138.02 39.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.779 177.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.2 pt -97.25 139.76 19.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.208 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.27 144.14 14.86 Favored Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.404 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' CYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 88' ' ' ALA . 49.6 m -131.33 103.42 6.44 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -115.15 159.73 36.74 Favored Pre-proline 0 C--N 1.314 -0.94 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.2 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.45 147.41 91.47 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.432 2.088 . . . . 0.0 111.384 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -57.39 122.87 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.258 0.552 . . . . 0.0 111.903 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -128.3 132.74 48.65 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.914 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -66.05 -40.95 91.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.031 0.444 . . . . 0.0 110.183 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -62.66 -36.64 83.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.733 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.461 ' O ' HD13 ' A' ' 114' ' ' LEU . 49.8 tp -62.75 -44.14 96.98 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.283 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.1 mm -63.16 -45.7 97.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.215 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.0 m -61.3 -40.05 92.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.18 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.56 -50.66 70.44 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.881 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 110' ' ' LEU . 11.3 mp -63.49 -38.01 89.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.628 178.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 34.2 t -60.56 -43.81 96.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.593 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -80.13 -6.17 57.26 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.903 0.382 . . . . 0.0 110.811 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 64.56 22.46 12.67 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.885 0.874 . . . . 0.0 112.088 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 77.97 -27.74 1.96 Allowed Glycine 0 CA--C 1.523 0.587 0 CA-C-N 115.788 -0.642 . . . . 0.0 114.235 176.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -85.58 116.46 23.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.037 0.446 . . . . 0.0 111.199 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -135.0 78.62 1.75 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.822 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -165.25 134.92 3.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.429 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -140.32 167.87 21.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.362 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -88.09 114.81 25.07 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 56.4 t60 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.082 -177.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 C--O 1.241 0.639 0 CA-C-O 121.164 0.507 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.12 140.14 37.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.976 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 m -123.45 159.74 27.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 120.926 0.393 . . . . 0.0 111.191 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.6 t -107.78 116.26 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 62.4 t -107.11 126.6 63.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.087 -178.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -139.36 159.11 42.93 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.961 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.91 34.58 5.39 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.617 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.493 ' HB2' HD11 ' A' ' 22' ' ' ILE . 55.5 p90 -132.45 162.85 30.12 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.534 ' O ' HG12 ' A' ' 22' ' ' ILE . 58.8 ttp180 -127.47 153.72 45.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.137 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 19.9 mp0 -68.77 4.73 1.33 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -177.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.41 0.7 45.85 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 120.657 0.265 . . . . 0.0 111.208 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 19' ' ' ARG . 19.8 pt -120.27 9.05 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -178.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.542 HG23 ' HB2' ' A' ' 37' ' ' LEU . 24.7 m -58.3 -46.82 85.39 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -173.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -61.22 -37.72 84.03 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.251 0.548 . . . . 0.0 109.74 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -78.95 -59.22 2.87 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.535 -176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.417 ' HB ' HD12 ' A' ' 22' ' ' ILE . 15.9 tt -66.55 -36.28 76.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -174.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.45 -37.3 86.78 Favored 'General case' 0 C--O 1.199 -1.583 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.655 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.09 -44.67 71.39 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.063 0.227 . . . . 0.0 111.505 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -64.34 -50.41 67.85 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.412 ' HB2' HD11 ' A' ' 36' ' ' ILE . 86.3 m-85 -81.37 -7.68 59.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.843 -175.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.553 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -58.52 -23.55 58.41 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.039 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -58.81 -30.28 67.51 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.479 0.657 . . . . 0.0 109.859 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -102.87 -45.78 4.88 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.558 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.553 ' O ' ' HA ' ' A' ' 31' ' ' ALA . . . -176.05 -163.14 28.18 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.13 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -110.31 156.39 20.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.767 0.283 . . . . 0.0 110.409 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.412 HD11 ' HB2' ' A' ' 30' ' ' PHE . 52.1 mt -114.75 -57.18 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -174.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.542 ' HB2' HG23 ' A' ' 23' ' ' THR . 5.5 mp -106.54 177.98 4.69 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.229 -0.188 . . . . 0.0 111.169 -178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -92.51 -19.86 21.54 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -174.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -88.73 98.83 11.91 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.38 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.2 tp . . . . . 0 N--CA 1.426 -1.667 0 CA-C-O 121.369 0.604 . . . . 0.0 110.805 -176.341 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 N--CA 1.45 -0.436 0 CA-C-O 121.296 0.569 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.72 150.89 23.32 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.147 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -74.75 127.36 32.97 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.992 -177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -122.51 150.02 43.13 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.413 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.59 -156.53 16.66 Favored Glycine 0 N--CA 1.436 -1.343 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.589 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -69.06 -44.6 72.27 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.806 0.336 . . . . 0.0 111.494 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.4 p -133.33 13.45 4.18 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.446 ' CD1' ' HB3' ' A' ' 114' ' ' LEU . 69.2 p-90 -139.31 150.37 45.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.485 0.184 . . . . 0.0 111.156 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 t -143.46 146.57 33.54 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 120.739 0.304 . . . . 0.0 110.939 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -93.34 108.58 20.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.3 mt -100.3 117.25 34.12 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.205 0.526 . . . . 0.0 110.474 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.1 m -110.67 120.92 43.99 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.748 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.444 ' C ' ' H ' ' A' ' 81' ' ' ASN . 77.5 m-85 -109.03 -9.07 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.622 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.67 -23.78 0.15 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.387 0.675 . . . . 0.0 112.472 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.444 ' H ' ' C ' ' A' ' 79' ' ' TYR . 3.8 m-20 -107.17 137.43 45.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.929 0.395 . . . . 0.0 110.645 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -68.04 -32.27 72.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.33 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 m -61.11 -47.82 84.53 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.018 0.437 . . . . 0.0 110.672 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -66.99 -36.68 82.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.274 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -58.62 -51.07 71.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.978 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.8 tp -68.98 -41.74 77.47 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.715 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -65.67 -39.51 91.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.777 0.323 . . . . 0.0 111.669 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.19 -13.78 59.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.56 ' O ' ' HB2' ' A' ' 103' ' ' CYS . 37.1 tp -62.51 -43.33 99.07 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.399 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 49.35 -113.08 0.58 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.943 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 56.46 26.4 10.81 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-O 121.773 0.797 . . . . 0.0 111.461 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -115.32 46.28 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.609 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.35 35.85 7.81 Favored Glycine 0 CA--C 1.501 -0.799 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.644 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.3 m -91.32 105.21 17.62 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 121.032 0.444 . . . . 0.0 110.824 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 96.3 mt -109.48 122.96 64.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.227 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -122.81 125.51 45.59 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.089 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 92.6 m 61.18 22.94 13.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.963 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.47 -7.95 58.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.422 -0.894 . . . . 0.0 113.668 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.84 144.58 51.56 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 117.385 0.593 . . . . 0.0 111.121 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -77.65 130.32 36.69 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.263 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.4 pt -86.0 149.6 4.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.37 106.72 2.26 Favored Glycine 0 N--CA 1.433 -1.565 0 C-N-CA 120.306 -0.949 . . . . 0.0 112.959 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.56 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 58.5 m -110.4 104.73 13.54 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 175.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.3 m -117.6 162.2 29.93 Favored Pre-proline 0 C--N 1.305 -1.358 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.348 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -64.72 152.98 79.98 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.541 2.161 . . . . 0.0 110.576 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -62.29 124.13 20.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.119 0.485 . . . . 0.0 111.542 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.509 ' O ' HG12 ' A' ' 111' ' ' ILE . 99.3 mttt -131.5 128.58 39.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.119 177.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -66.46 -42.98 86.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.58 0.229 . . . . 0.0 111.562 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.18 -35.01 79.73 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.075 0.464 . . . . 0.0 110.601 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 51.1 tp -62.48 -40.4 96.55 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.095 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 107' ' ' LYS . 45.1 mm -60.99 -43.59 96.4 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.155 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.4 m -60.04 -42.12 93.77 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.48 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.53 -43.42 85.23 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.208 0.527 . . . . 0.0 110.542 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 82.5 mt -63.15 -39.96 96.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.585 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.824 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.573 HD21 ' N ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.388 0 CA-C-O 121.2 0.524 . . . . 0.0 110.418 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.35 142.67 51.38 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.594 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -123.36 157.34 29.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 120.944 0.402 . . . . 0.0 111.322 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 103' ' ' CYS . 48.9 t -111.56 114.86 48.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.9 t -115.73 130.46 70.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 120.949 0.404 . . . . 0.0 110.219 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -144.56 156.2 44.03 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.76 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.71 -21.74 4.43 Favored Glycine 0 C--N 1.32 -0.323 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.474 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -99.73 150.8 21.93 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.933 0.397 . . . . 0.0 110.779 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -74.21 -83.3 0.05 Allowed 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -174.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 179.85 -52.56 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.451 0.643 . . . . 0.0 109.476 -174.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 0.37 3.78 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.699 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.408 HD12 ' HB ' ' A' ' 26' ' ' ILE . 1.6 pt -88.2 17.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.559 0.218 . . . . 0.0 110.799 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.523 HG21 ' HB3' ' A' ' 39' ' ' ASP . 35.8 m -45.11 -71.59 0.07 Allowed 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -176.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.16 -37.46 74.73 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -173.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.496 ' HG2' ' OH ' ' A' ' 96' ' ' TYR . 42.4 tt0 -61.93 -65.82 0.63 Allowed 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.72 -177.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.408 ' HB ' HD12 ' A' ' 22' ' ' ILE . 8.2 tt -70.03 -26.97 30.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 120.962 0.41 . . . . 0.0 111.793 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 23' ' ' THR . 36.5 tp -62.7 -37.51 86.76 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.441 -177.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.92 -34.84 57.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.841 0.353 . . . . 0.0 111.916 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -93.23 -44.0 8.55 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -85.85 -11.53 53.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.51 -19.75 63.72 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 118.125 0.42 . . . . 0.0 110.81 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -67.74 -27.59 66.92 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.164 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.49 ' HB3' ' CE1' ' A' ' 79' ' ' TYR . 89.8 m-85 -88.09 -51.36 5.83 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.603 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 177.23 -167.61 38.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.411 -0.9 . . . . 0.0 112.885 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -82.83 116.91 22.36 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.05 0.452 . . . . 0.0 110.173 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.472 ' O ' HG21 ' A' ' 75' ' ' THR . 38.1 mm -92.97 -53.34 8.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.541 -177.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.43 -172.91 3.62 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.857 -178.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 45.0 mt-10 -90.06 -138.85 0.14 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.868 -176.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.523 ' HB3' HG21 ' A' ' 23' ' ' THR . 10.0 t70 71.19 -75.26 0.08 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.3 0.64 . . . . 0.0 110.757 -176.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.2 mt . . . . . 0 N--CA 1.471 0.618 0 C-N-CA 124.876 1.27 . . . . 0.0 114.251 177.666 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 CA--C 1.542 0.663 0 CA-C-O 121.141 0.496 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -143.36 158.17 43.86 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -73.02 111.2 7.91 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.81 0.814 . . . . 0.0 111.47 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -129.31 128.27 42.83 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.016 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.47 -119.85 3.48 Favored Glycine 0 N--CA 1.433 -1.543 0 C-N-CA 120.427 -0.892 . . . . 0.0 110.968 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -91.48 -76.35 0.45 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 120.892 0.377 . . . . 0.0 109.993 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 p -107.6 3.01 24.38 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.13 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -113.08 135.92 53.27 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.509 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.472 HG21 ' O ' ' A' ' 36' ' ' ILE . 39.2 m -135.23 129.3 33.45 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.025 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -84.59 126.95 33.79 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 173.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.431 HD13 ' OH ' ' A' ' 79' ' ' TYR . 96.1 mt -112.89 115.55 28.62 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.223 0.535 . . . . 0.0 110.974 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 87.9 m -110.34 114.06 27.22 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.624 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 33' ' ' PHE . 92.9 m-85 -108.45 -1.52 19.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.91 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.71 -41.37 0.48 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.574 0.749 . . . . 0.0 112.396 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -86.36 140.75 29.74 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 120.966 0.413 . . . . 0.0 110.705 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.521 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 33.9 t-80 -84.59 -19.88 32.34 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.006 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.4 m -61.44 -40.2 93.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.703 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 p -80.14 -12.0 59.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.555 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.521 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 67.1 t80 -60.3 -46.72 88.88 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.042 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.98 -42.77 99.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.279 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.51 -40.01 81.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.184 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.51 -13.63 59.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.942 0.401 . . . . 0.0 111.466 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.588 ' HA ' ' SG ' ' A' ' 103' ' ' CYS . 39.8 tp -83.04 -6.56 59.54 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.173 -178.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -59.39 125.44 23.65 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.507 0.67 . . . . 0.0 112.474 -175.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -138.69 6.44 2.47 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.198 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -75.77 95.76 3.52 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.472 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 68.13 26.5 74.06 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.472 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.0 m -93.26 99.54 12.07 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.006 0.432 . . . . 0.0 111.325 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 96.8 mt -116.01 126.61 73.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.016 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.496 ' OH ' ' HG2' ' A' ' 25' ' ' GLN . 12.0 t80 -139.03 134.31 32.83 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.897 -178.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.4 t 69.2 12.45 8.46 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.114 0.483 . . . . 0.0 111.299 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.72 -0.93 52.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.094 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.82 156.13 48.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.961 0.381 . . . . 0.0 111.1 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -88.78 129.92 35.46 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.248 178.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 30.4 pt -84.93 132.87 30.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 120.999 0.428 . . . . 0.0 110.161 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.26 131.92 10.76 Favored Glycine 0 CA--C 1.496 -1.134 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.346 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.588 ' SG ' ' HA ' ' A' ' 89' ' ' LEU . 42.4 t -131.21 124.22 30.13 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.068 0.461 . . . . 0.0 110.315 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.7 m -132.5 161.57 62.44 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.308 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.37 154.42 73.69 Favored 'Trans proline' 0 C--O 1.24 0.58 0 C-N-CA 122.646 2.23 . . . . 0.0 111.595 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -59.26 106.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.184 0.516 . . . . 0.0 110.801 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.553 ' O ' HG12 ' A' ' 111' ' ' ILE . 57.8 mtmt -116.0 126.5 53.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.108 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -56.91 -41.3 77.9 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -177.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.19 -44.45 95.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.914 0.387 . . . . 0.0 110.869 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.554 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 59.8 tp -62.86 -43.28 99.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.564 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 107' ' ' LYS . 46.2 mm -62.31 -42.94 97.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.243 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 t -60.73 -45.03 95.83 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.318 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -64.82 -41.01 96.1 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.046 0.451 . . . . 0.0 110.924 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 88.8 mt -64.55 -38.53 91.33 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.251 0.548 . . . . 0.0 110.903 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 41.3 m . . . . . 0 CA--C 1.541 0.613 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.345 -178.874 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 . . . . . 0 C--O 1.236 0.369 0 CA-C-O 120.985 0.421 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.77 129.41 35.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.627 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.5 m -129.87 164.97 31.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.803 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.3 t -116.48 126.97 74.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.628 HG22 ' SG ' ' A' ' 103' ' ' CYS . 22.6 t -114.25 131.2 66.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -143.03 164.83 29.02 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.029 0.442 . . . . 0.0 111.868 -177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.77 -6.89 20.02 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.697 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.458 ' HB2' HG12 ' A' ' 22' ' ' ILE . 38.2 p90 -122.23 175.69 6.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.796 0.331 . . . . 0.0 111.154 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -136.27 164.87 27.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.381 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.492 ' HA ' HD23 ' A' ' 37' ' ' LEU . 16.9 tp10 -69.32 85.46 0.4 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.411 0.624 . . . . 0.0 109.438 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.47 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.02 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.458 HG12 ' HB2' ' A' ' 18' ' ' TYR . 2.8 pp -87.51 12.09 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.497 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.548 HG23 ' HB2' ' A' ' 37' ' ' LEU . 7.2 m -45.04 -72.88 0.05 OUTLIER 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 114.094 -1.412 . . . . 0.0 113.845 -173.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -61.17 -35.46 77.17 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 120.737 0.304 . . . . 0.0 111.563 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -61.24 -58.17 9.37 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.359 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.509 HG23 HG12 ' A' ' 36' ' ' ILE . 8.6 tt -69.95 -26.37 29.92 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 CA-C-O 121.203 0.525 . . . . 0.0 110.627 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 23' ' ' THR . 8.9 tt -60.95 -41.17 95.79 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.047 -178.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.86 -25.01 55.7 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -91.69 -49.18 6.42 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -89.94 -8.68 51.18 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -174.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.14 -3.94 12.14 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -55.29 -40.0 70.53 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -106.68 -9.96 16.31 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.007 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.15 166.86 41.49 Favored Glycine 0 C--O 1.224 -0.492 0 CA-C-N 115.736 -0.665 . . . . 0.0 114.457 175.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 66.45 112.66 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.068 0.947 . . . . 0.0 112.496 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.574 HG13 HD12 ' A' ' 37' ' ' LEU . 8.3 tp -145.65 -47.86 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 121.013 0.435 . . . . 0.0 111.332 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.574 HD12 HG13 ' A' ' 36' ' ' ILE . 6.7 mp -144.38 -169.87 3.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -178.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -81.51 -47.99 12.41 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' HB3' HG21 ' A' ' 23' ' ' THR . 13.6 t70 -72.47 115.27 11.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.549 0.69 . . . . 0.0 110.661 -175.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.82 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.019 -171.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.976 0.417 . . . . 0.0 111.373 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 76' ' ' LYS . 5.7 tpm_? -82.46 154.68 25.0 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.682 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -74.53 145.05 43.78 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.009 0.433 . . . . 0.0 110.767 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -134.14 161.24 35.42 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.104 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.555 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -110.28 -118.4 3.94 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.301 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -111.64 -73.17 0.68 Allowed 'General case' 0 CA--C 1.502 -0.872 0 CA-C-O 120.834 0.349 . . . . 0.0 110.723 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 p -102.44 13.15 35.3 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.11 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.555 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 38.4 p-90 -137.32 140.66 41.65 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.518 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.4 m -130.11 129.02 43.0 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.301 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.501 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 87.0 tttt -86.45 131.06 34.28 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 176.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.6 mt -126.59 134.94 50.68 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.72 0.295 . . . . 0.0 111.654 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 83.1 m -112.22 100.28 8.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.996 0.427 . . . . 0.0 110.492 176.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.472 ' HB3' ' OG ' ' A' ' 84' ' ' SER . 96.3 m-85 -78.67 -24.4 45.15 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.618 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.8 -34.51 0.3 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.75 0.82 . . . . 0.0 112.842 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -100.79 141.27 33.91 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.639 0.257 . . . . 0.0 110.745 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -66.09 -35.49 80.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.337 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 m -58.13 -45.95 86.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.138 0.494 . . . . 0.0 110.213 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.472 ' OG ' ' HB3' ' A' ' 79' ' ' TYR . 4.1 p -74.66 -32.05 62.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.561 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -59.74 -49.34 78.1 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.641 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.6 tp -70.44 -27.05 63.95 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.6 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.655 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 93.4 mtt180 -76.3 -14.15 60.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.609 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 103' ' ' CYS . . . -75.4 -13.3 60.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.011 0.434 . . . . 0.0 111.302 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.89 -4.28 27.25 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 123.377 0.671 . . . . 0.0 112.748 -176.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 87' ' ' ARG . 31.2 mmm180 -47.65 89.66 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -176.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -158.84 88.72 0.91 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.773 0.797 . . . . 0.0 109.312 174.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -136.36 30.69 2.93 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.99 38.37 2.52 Favored Glycine 0 N--CA 1.434 -1.441 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -174.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.723 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 4.1 m -84.07 81.24 8.88 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-O 121.126 0.489 . . . . 0.0 111.633 -175.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.515 HD13 ' N ' ' A' ' 100' ' ' ALA . 3.2 mm -85.49 116.7 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.547 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -128.87 127.51 41.98 Favored 'General case' 0 N--CA 1.432 -1.352 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 16.1 t 64.32 13.92 8.36 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.032 0.444 . . . . 0.0 111.131 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.24 -17.4 16.86 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.858 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.44 153.66 51.8 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 117.74 0.77 . . . . 0.0 112.533 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.723 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -82.42 140.85 33.2 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.495 -179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 38.0 pt -102.92 126.15 57.2 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.61 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -116.11 131.98 9.92 Favored Glycine 0 N--CA 1.437 -1.253 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.358 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.628 ' SG ' HG22 ' A' ' 15' ' ' VAL . 48.1 t -131.06 134.4 46.6 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 120.952 0.406 . . . . 0.0 110.751 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.0 m -137.72 166.65 24.76 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.098 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.12 150.78 85.37 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.199 1.933 . . . . 0.0 110.818 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -54.45 110.66 0.66 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.286 0.565 . . . . 0.0 111.455 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.477 ' O ' HG12 ' A' ' 111' ' ' ILE . 71.7 mmtt -110.94 125.93 54.21 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.362 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -64.47 -41.03 96.73 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.262 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.84 -39.33 93.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.171 0.51 . . . . 0.0 109.914 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.21 -41.69 98.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.607 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 107' ' ' LYS . 36.7 mm -62.28 -43.34 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.234 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.4 m -59.93 -44.02 94.59 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.171 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -62.57 -45.78 91.36 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.098 0.475 . . . . 0.0 110.815 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.503 HD13 ' CG ' ' A' ' 74' ' ' TRP . 96.9 mt -64.85 -40.67 95.52 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.841 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.28 179.783 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 121.29 0.567 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.89 141.74 51.18 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.229 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.425 HG13 ' CE1' ' A' ' 85' ' ' TYR . 29.7 m -118.54 156.54 20.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-O 121.028 0.442 . . . . 0.0 110.951 -178.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.6 t -106.59 119.85 56.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.47 HG22 ' SG ' ' A' ' 103' ' ' CYS . 57.2 t -100.34 121.47 51.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -141.88 164.84 29.11 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.982 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.17 -17.62 7.98 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.136 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -96.01 171.9 8.34 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 110.537 -0.171 . . . . 0.0 110.537 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -90.0 -83.14 0.25 Allowed 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -178.32 -42.25 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.132 0.491 . . . . 0.0 110.115 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.08 24.51 3.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -176.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 pp -109.62 8.36 8.96 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.341 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 m -57.97 -46.03 85.8 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.252 -174.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HE2' ' OD2' ' A' ' 39' ' ' ASP . 70.5 mmtt -48.97 -36.53 17.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 122.715 0.406 . . . . 0.0 111.611 -177.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -80.5 -60.98 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.6 tt -66.53 -29.09 45.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -174.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.3 tp -60.91 -43.52 98.45 Favored 'General case' 0 C--O 1.21 -0.99 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -176.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.15 -22.83 43.04 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -86.98 -48.05 8.44 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -92.1 -8.63 45.2 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -175.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.97 -14.41 60.14 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 120.813 0.34 . . . . 0.0 111.281 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.22 -25.32 65.15 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.174 0.511 . . . . 0.0 110.001 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -109.88 -44.24 3.85 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.379 -176.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -158.65 -162.3 11.78 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 119.826 -1.178 . . . . 0.0 113.532 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' CD ' HH21 ' A' ' 68' ' ' ARG . 0.0 OUTLIER -111.23 136.71 49.93 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.931 0.492 . . . . 0.0 111.588 -178.255 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.731 HG22 HD12 ' A' ' 37' ' ' LEU . 59.2 mt -132.56 132.24 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.731 HD12 HG22 ' A' ' 36' ' ' ILE . 1.5 mp 69.14 -178.93 0.22 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.194 0.597 . . . . 0.0 111.37 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -103.55 -41.43 5.98 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.471 ' OD2' ' HE2' ' A' ' 24' ' ' LYS . 38.9 t70 -78.53 96.44 5.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.079 0.466 . . . . 0.0 110.165 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.8 mt . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.25 -174.347 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.235 0.338 0 CA-C-O 121.762 0.791 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.64 ' NH1' ' HB ' ' A' ' 78' ' ' THR . 39.3 ttm-85 -123.9 154.82 39.17 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.957 -1.019 . . . . 0.0 108.776 -177.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -75.05 139.77 43.07 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.082 0.468 . . . . 0.0 111.248 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -157.02 159.71 38.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.858 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.68 -79.94 1.49 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 109.799 -1.321 . . . . 0.0 109.799 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -174.57 -43.32 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 123.131 0.572 . . . . 0.0 110.249 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.1 p -96.44 -5.72 38.99 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.135 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -147.05 145.99 29.85 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.085 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.4 HG23 ' CD2' ' A' ' 77' ' ' LEU . 14.8 t -143.85 147.44 34.07 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 173.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -85.84 122.52 30.03 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.052 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.4 ' CD2' HG23 ' A' ' 75' ' ' THR . 4.4 mm? -98.96 114.62 27.34 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.27 0.557 . . . . 0.0 111.258 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.64 ' HB ' ' NH1' ' A' ' 68' ' ' ARG . 19.0 m -111.86 96.24 5.95 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.696 178.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -89.73 -15.14 33.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.28 -45.71 0.62 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.723 0.809 . . . . 0.0 111.976 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -79.65 137.96 37.24 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 121.053 0.454 . . . . 0.0 110.677 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.464 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 67.0 t60 -66.85 -37.84 85.22 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.538 -178.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.616 ' O ' ' HG2' ' A' ' 87' ' ' ARG . 4.1 p -60.88 -48.17 83.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.465 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.9 p -68.74 -29.08 67.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.055 0.455 . . . . 0.0 110.969 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 63.9 t80 -59.79 -49.52 77.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.599 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.3 tp -67.12 -34.14 76.97 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.237 -177.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 83' ' ' SER . 39.0 mmt180 -65.88 -17.21 64.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.767 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.19 -12.22 30.82 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.9 tp -60.15 -49.12 78.89 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 111.633 0.234 . . . . 0.0 111.633 -175.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 46.26 34.55 2.24 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 176.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -91.83 61.99 4.26 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.182 0.515 . . . . 0.0 110.129 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -168.08 91.6 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 50.57 36.31 31.27 Favored Glycine 0 N--CA 1.465 0.607 0 CA-C-N 116.051 -0.522 . . . . 0.0 113.782 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 30.9 m -96.63 85.19 3.8 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.265 0.555 . . . . 0.0 110.517 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.533 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 82.5 mt -99.83 120.93 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.429 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -116.35 122.98 46.47 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.9 t 70.37 -52.79 0.65 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.85 0.86 . . . . 0.0 112.438 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -160.45 -25.24 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.196 -1.002 . . . . 0.0 113.566 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.75 155.89 49.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.317 0.559 . . . . 0.0 111.328 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.533 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -73.47 141.28 46.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.171 177.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 38.5 pt -89.36 129.19 40.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 CA-C-O 121.042 0.449 . . . . 0.0 109.939 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.98 124.26 8.18 Favored Glycine 0 N--CA 1.436 -1.33 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.297 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.47 ' SG ' HG22 ' A' ' 15' ' ' VAL . 38.5 m -127.74 119.87 26.7 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 120.957 0.408 . . . . 0.0 110.273 178.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.4 m -133.27 158.48 75.62 Favored Pre-proline 0 C--N 1.315 -0.899 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -61.21 147.28 96.04 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.211 1.941 . . . . 0.0 110.724 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -56.51 123.33 14.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.15 0.5 . . . . 0.0 111.598 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -135.5 151.9 50.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.883 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -64.53 -48.2 75.96 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.283 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 113' ' ' GLU . 9.6 tp10 -66.73 -34.98 79.05 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.124 -178.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.533 ' O ' HD23 ' A' ' 114' ' ' LEU . 2.8 tm? -58.88 -47.79 83.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.882 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.2 mm -64.93 -43.15 96.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.277 0.56 . . . . 0.0 110.344 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.7 m -61.41 -40.74 95.51 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.595 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 68.4 mt-10 -66.72 -42.91 85.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 111.312 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 110' ' ' LEU . 2.8 mm? -64.57 -38.56 91.42 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.991 0.424 . . . . 0.0 111.578 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.2 p . . . . . 0 C--N 1.321 -0.651 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 -176.801 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.3 m120 . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 121.009 0.433 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.52 140.15 34.71 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.782 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.1 m -133.58 164.5 34.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.949 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.2 t -118.29 128.38 75.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.583 HG22 ' SG ' ' A' ' 103' ' ' CYS . 8.3 t -109.18 135.1 49.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -145.52 157.82 43.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.892 0.377 . . . . 0.0 111.79 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.89 35.47 2.19 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.69 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.5 ' HB2' HD11 ' A' ' 22' ' ' ILE . 31.9 p90 -151.64 168.05 26.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.871 0.336 . . . . 0.0 111.372 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -133.92 167.8 19.93 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.989 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.98 93.29 1.36 Allowed 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 178.79 -33.38 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.784 0.802 . . . . 0.0 109.489 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.5 HD11 ' HB2' ' A' ' 18' ' ' TYR . 2.9 pp -99.27 16.95 3.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.525 -177.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.463 HG23 ' HB2' ' A' ' 37' ' ' LEU . 19.6 m -58.74 -48.46 81.11 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -173.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -61.26 -37.15 82.07 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.412 -176.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.08 -54.23 28.33 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.05 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.527 HG23 ' CD1' ' A' ' 30' ' ' PHE . 8.4 mt -64.69 -39.93 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.604 0.24 . . . . 0.0 111.338 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.485 HD22 ' HB2' ' A' ' 31' ' ' ALA . 1.2 tm? -57.89 -41.42 82.51 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.897 177.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.96 -29.07 69.43 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.404 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 85.2 t80 -93.72 -47.35 6.82 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.527 ' CD1' HG23 ' A' ' 26' ' ' ILE . 60.3 m-85 -84.62 -6.55 59.37 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -174.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.485 ' HB2' HD22 ' A' ' 27' ' ' LEU . . . -59.99 -6.79 1.46 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -64.43 -28.96 70.03 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.981 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.24 -69.37 0.44 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -98.89 177.17 30.16 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 115.811 1.084 . . . . 0.0 115.811 -171.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -108.67 130.59 55.34 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.033 0.933 . . . . 0.0 109.345 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.569 HG13 HD21 ' A' ' 77' ' ' LEU . 2.8 mp -131.33 137.63 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.371 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.536 HD12 HG22 ' A' ' 36' ' ' ILE . 2.0 mp 64.59 -167.48 0.22 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.368 0.667 . . . . 0.0 111.588 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -123.06 -11.48 8.05 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -175.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -90.02 82.84 6.08 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.263 0.554 . . . . 0.0 110.949 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.59 -178.562 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m . . . . . 0 N--CA 1.443 -0.815 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.515 ' HD3' ' HB3' ' A' ' 76' ' ' LYS . 47.5 ttt85 -85.9 136.46 33.28 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.397 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.07 152.72 38.59 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.927 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -113.63 152.14 30.79 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.586 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.08 -63.98 1.76 Allowed Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.724 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 -161.62 -54.4 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.3 p -126.26 20.37 7.46 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 63.5 p-90 -136.26 147.66 47.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.013 0.435 . . . . 0.0 111.78 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.6 m -136.6 135.32 38.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.542 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.515 ' HB3' ' HD3' ' A' ' 68' ' ' ARG . 86.4 tttt -90.91 122.52 33.67 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.569 HD21 HG13 ' A' ' 36' ' ' ILE . 68.3 mt -105.57 108.06 19.38 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 121.055 0.455 . . . . 0.0 110.641 177.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.0 m -100.18 95.73 7.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.47 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 89.0 m-85 -76.99 -31.61 56.63 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.586 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.66 10.51 7.11 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.634 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 79' ' ' TYR . 9.3 p30 -136.55 147.92 47.3 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -78.69 -23.27 45.72 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.554 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.8 m -59.33 -60.69 3.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.719 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.1 p -73.92 -16.48 61.1 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -59.54 -48.33 82.06 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 120.782 0.325 . . . . 0.0 110.458 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.87 -37.7 88.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.136 0.493 . . . . 0.0 111.155 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -66.71 -23.71 66.15 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.522 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.577 ' O ' ' HB3' ' A' ' 103' ' ' CYS . . . -78.68 -14.61 59.21 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.6 mp -75.49 -3.53 34.52 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 90' ' ' ARG . 10.8 ptp85 -43.01 120.27 1.75 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.434 0.635 . . . . 0.0 112.524 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.06 85.01 0.59 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -150.25 24.31 0.82 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.746 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.32 38.95 4.37 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.845 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.469 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 35.1 m -75.32 94.98 3.11 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 97.4 mt -82.91 121.52 36.08 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.593 -178.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -134.71 128.82 33.72 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 70.7 m 64.57 14.35 8.9 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 121.081 0.467 . . . . 0.0 111.097 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.5 -15.41 42.08 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 121.09 -0.576 . . . . 0.0 113.857 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.79 151.27 43.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.589 0.695 . . . . 0.0 111.332 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -81.66 110.04 16.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.851 0.358 . . . . 0.0 110.71 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 47.7 pt -85.47 164.38 2.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.105 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -150.09 156.35 26.69 Favored Glycine 0 N--CA 1.44 -1.052 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.31 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.583 ' SG ' HG22 ' A' ' 15' ' ' VAL . 42.7 t -142.67 136.91 29.53 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.1 m -129.63 165.98 29.15 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.585 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.91 150.05 85.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.644 2.229 . . . . 0.0 111.235 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -61.89 126.39 27.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.432 0.634 . . . . 0.0 112.109 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -127.59 125.87 41.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.146 -0.933 . . . . 0.0 109.019 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -65.16 -36.04 82.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.165 0.507 . . . . 0.0 110.14 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -69.39 -35.53 75.88 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.146 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 62.2 tp -63.36 -42.51 98.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.751 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 47.6 mm -61.52 -46.71 96.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.058 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.5 p -63.6 -43.45 96.88 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.35 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -65.43 -40.34 93.21 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.773 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 86.7 mt -62.41 -42.65 99.59 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 120.918 0.389 . . . . 0.0 110.747 178.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 CA--C 1.535 0.388 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.787 178.601 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 . . . . . 0 C--O 1.24 0.586 0 CA-C-O 120.795 0.331 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.78 144.58 36.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.07 0.462 . . . . 0.0 111.325 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.9 m -126.64 160.65 34.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.95 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -112.15 124.19 68.63 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.9 t -117.65 129.74 73.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -142.66 155.12 44.88 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -176.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.37 20.14 4.82 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.688 -0.687 . . . . 0.0 113.098 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.578 ' HB2' HD11 ' A' ' 22' ' ' ILE . 42.6 p90 -143.32 165.04 28.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.151 0.475 . . . . 0.0 112.001 -178.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.56 ' O ' HG12 ' A' ' 22' ' ' ILE . 46.6 ttp180 -107.31 151.35 25.6 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.761 -175.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.598 ' HA ' HD22 ' A' ' 37' ' ' LEU . 10.0 tp10 -54.27 -32.64 56.71 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.855 0.862 . . . . 0.0 113.051 -175.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.74 -11.83 60.07 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 18' ' ' TYR . 5.2 pt -86.5 23.92 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -174.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.552 HG21 ' O ' ' A' ' 39' ' ' ASP . 13.1 m -59.15 -44.04 92.07 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.759 0.314 . . . . 0.0 111.45 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 3.5 mppt? -61.84 -21.85 65.01 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.914 0.387 . . . . 0.0 111.34 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -93.02 -67.44 0.86 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.164 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.454 ' CG1' HD12 ' A' ' 22' ' ' ILE . 8.7 mm -64.28 -43.91 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.539 ' HB3' ' O ' ' A' ' 23' ' ' THR . 8.3 tt -60.04 -29.73 68.71 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.76 99.44 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 120.784 0.326 . . . . 0.0 111.553 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -89.24 -44.53 10.2 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.876 0.37 . . . . 0.0 111.713 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.536 ' HD2' ' CE1' ' A' ' 33' ' ' PHE . 22.1 m-85 -77.63 -0.88 28.26 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.221 1.008 . . . . 0.0 113.542 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -42.11 -13.01 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -61.34 -39.5 90.81 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.536 ' CE1' ' HD2' ' A' ' 30' ' ' PHE . 69.8 m-85 -65.74 -36.9 84.88 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.943 177.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.26 -118.35 5.0 Favored Glycine 0 N--CA 1.429 -1.8 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.408 -176.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -90.28 98.31 11.7 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.919 0.39 . . . . 0.0 110.771 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.8 mm -67.61 -44.33 86.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.832 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.598 HD22 ' HA ' ' A' ' 20' ' ' GLU . 71.3 mt -128.03 161.62 28.75 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.654 -174.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -81.73 -19.6 41.1 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.545 0.688 . . . . 0.0 110.068 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.552 ' O ' HG21 ' A' ' 23' ' ' THR . 12.4 t70 -69.52 143.69 53.37 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 C--N 1.317 -0.815 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.784 -177.819 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 121.394 0.616 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -99.89 140.07 34.64 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.46 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -75.27 145.27 42.01 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.976 0.417 . . . . 0.0 111.575 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -150.94 162.57 40.55 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.918 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -116.29 -150.64 9.51 Favored Glycine 0 N--CA 1.437 -1.283 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.085 -177.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -62.73 -49.42 75.13 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.0 p -135.45 12.42 3.5 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.787 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -129.69 142.3 50.75 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.965 -178.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.439 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 89.4 m -133.27 133.15 42.25 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -95.57 105.04 16.97 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.5 mt -100.74 127.35 47.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.593 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.1 m -113.14 121.68 45.26 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.728 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.501 ' HE2' ' HB2' ' A' ' 88' ' ' ALA . 21.0 m-85 -87.01 -28.37 22.67 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 117.009 -0.087 . . . . 0.0 111.232 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 79' ' ' TYR . . . 80.9 -1.31 1.81 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.844 0.858 . . . . 0.0 111.76 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -128.76 138.05 51.89 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 120.661 0.267 . . . . 0.0 110.56 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.451 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 16.1 t60 -67.22 -37.41 83.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.029 -178.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m -61.06 -44.81 96.82 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.103 0.478 . . . . 0.0 109.864 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -67.7 -33.87 75.77 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.257 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.451 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 30.9 t80 -57.88 -48.19 80.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.168 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.4 tp -66.29 -31.93 73.03 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-O 121.086 0.469 . . . . 0.0 111.345 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -79.8 -9.83 59.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.177 0.513 . . . . 0.0 111.265 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.501 ' HB2' ' HE2' ' A' ' 79' ' ' TYR . . . -91.19 -10.21 42.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.597 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.2 tp -58.43 -43.68 88.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.462 -174.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 47.44 -137.45 0.79 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.819 0.448 . . . . 0.0 111.886 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 62.18 26.85 16.14 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.94 0.896 . . . . 0.0 111.729 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -112.4 80.78 1.38 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.993 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 67.38 29.89 74.69 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.679 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.4 m -85.49 89.11 7.61 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.131 0.491 . . . . 0.0 110.953 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.9 mt -108.19 128.11 63.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.137 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -132.4 133.22 43.65 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.367 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.0 t 63.44 13.55 7.23 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.004 0.521 . . . . 0.0 111.63 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.15 10.07 55.01 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.307 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.76 148.41 47.23 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.989 0.394 . . . . 0.0 110.722 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.46 125.85 35.71 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.174 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 49.5 pt -91.86 145.85 7.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.028 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.33 129.46 9.9 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.183 -1.008 . . . . 0.0 112.023 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 56.2 m -130.86 111.8 12.43 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.5 m -139.75 164.81 35.51 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.683 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.53 157.49 61.62 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.36 2.04 . . . . 0.0 110.17 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.411 ' CE2' HG12 ' A' ' 111' ' ' ILE . 52.5 t80 -59.76 117.01 4.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.901 0.381 . . . . 0.0 111.044 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.472 ' O ' HD13 ' A' ' 111' ' ' ILE . 2.1 mptm? -116.05 135.72 53.69 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 174.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -64.09 -40.5 96.36 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.129 0.49 . . . . 0.0 110.463 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.53 -39.98 92.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.286 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.468 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 59.5 tp -61.93 -46.86 87.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 110.658 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.472 HD13 ' O ' ' A' ' 107' ' ' LYS . 1.7 mp -62.87 -40.73 89.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.542 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 t -58.56 -47.54 83.87 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.068 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.88 -39.76 87.61 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.141 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 92.6 mt -62.64 -38.92 92.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.999 0.428 . . . . 0.0 110.765 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.3 t . . . . . 0 N--CA 1.444 -0.757 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.908 176.614 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 . . . . . 0 C--O 1.234 0.259 0 CA-C-O 121.086 0.469 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.25 144.2 27.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.211 177.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -132.87 160.36 42.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.882 0.372 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.4 t -106.15 117.76 52.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 102' ' ' GLY . 21.5 t -109.56 130.45 62.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -141.81 167.83 21.21 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.36 -7.95 12.36 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.455 ' HE2' HG12 ' A' ' 15' ' ' VAL . 36.2 p90 -128.35 167.96 16.22 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.637 0.256 . . . . 0.0 110.662 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.41 ' O ' HG13 ' A' ' 22' ' ' ILE . 33.2 ptt-85 -120.86 158.56 27.35 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.526 -177.017 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.475 ' HA ' HD22 ' A' ' 37' ' ' LEU . 34.1 tt0 -73.31 84.3 1.42 Allowed 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.05 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.418 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.414 ' H ' HG13 ' A' ' 22' ' ' ILE . 2.8 pp -89.79 27.35 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.524 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.9 m -43.6 -69.3 0.14 Allowed 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 124.404 1.082 . . . . 0.0 112.899 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -61.48 -34.03 74.79 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -175.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -58.41 -68.66 0.23 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.998 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.6 tt -70.56 -27.1 29.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.784 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.47 ' HG ' ' HB2' ' A' ' 31' ' ' ALA . 40.5 tp -61.28 -37.43 83.13 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -178.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.14 -28.01 16.4 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -93.99 -47.52 6.67 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.481 ' CB ' HD11 ' A' ' 36' ' ' ILE . 69.2 m-85 -87.31 -8.5 56.64 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -173.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . . . -60.39 -25.79 66.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.617 0.246 . . . . 0.0 111.113 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -63.01 -31.86 73.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.993 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -88.95 -44.21 10.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.478 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.57 -178.71 42.46 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.093 -1.051 . . . . 0.0 113.243 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 35' ' ' GLU . 2.0 pm0 -75.19 150.77 38.59 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 122.944 0.498 . . . . 0.0 110.22 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.481 HD11 ' CB ' ' A' ' 30' ' ' PHE . 61.0 mt -120.67 -83.51 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -174.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 20' ' ' GLU . 2.4 mt -67.17 -75.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.347 -173.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -175.89 39.83 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -59.57 136.64 58.04 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.024 -1.444 . . . . 0.0 112.965 -175.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.675 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.2 -178.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.575 ' NH1' HG23 ' A' ' 75' ' ' THR . 1.9 ttp-105 -95.14 143.47 26.55 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.996 177.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 42.2 tt0 -86.42 149.72 24.81 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -146.24 132.5 19.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.336 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.15 -51.21 0.95 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.492 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -122.65 -143.1 0.33 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.798 0.333 . . . . 0.0 110.371 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 p -77.79 36.02 0.21 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.407 ' CG ' HD13 ' A' ' 114' ' ' LEU . 58.6 p-90 -128.56 136.62 50.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.06 0.457 . . . . 0.0 111.506 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.575 HG23 ' NH1' ' A' ' 68' ' ' ARG . 96.6 m -136.56 120.92 18.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.819 178.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.496 ' H ' ' HD2' ' A' ' 68' ' ' ARG . 40.0 ttpt -86.48 117.22 25.13 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 tt -106.78 123.79 48.66 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -177.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.4 m -95.4 96.34 9.05 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.411 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -70.21 -42.39 72.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.799 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.67 -44.72 0.59 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.502 0.721 . . . . 0.0 111.517 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.463 ' OD1' ' HB2' ' A' ' 84' ' ' SER . 7.3 p30 -74.27 126.6 31.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.075 0.464 . . . . 0.0 110.747 176.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.446 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 49.6 t-80 -66.73 -39.21 87.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.13 -176.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.5 t -60.03 -44.5 94.58 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 120.7 0.286 . . . . 0.0 111.46 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.463 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 21.3 m -78.47 -17.4 56.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.619 0.247 . . . . 0.0 110.876 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.446 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 82.2 t80 -61.18 -47.17 87.4 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.25 -39.32 92.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.267 0.556 . . . . 0.0 110.634 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -59.96 -29.74 68.62 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.868 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.24 -13.53 60.79 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.68 -2.7 37.37 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -62.27 36.17 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.355 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -81.49 75.6 8.44 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -137.07 -70.51 0.45 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.208 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -122.47 29.01 5.59 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.835 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.2 m -92.69 93.87 8.71 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.161 0.505 . . . . 0.0 110.913 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.6 mt -113.37 127.17 70.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.104 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -132.01 135.84 46.82 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 30.7 t 64.17 16.88 10.34 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.313 0.578 . . . . 0.0 110.99 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.27 6.86 64.29 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.365 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.71 146.27 52.15 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.811 0.305 . . . . 0.0 110.931 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.5 124.82 33.86 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.8 pt -84.99 132.45 31.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 121.102 0.477 . . . . 0.0 110.498 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.534 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -99.44 146.0 17.79 Favored Glycine 0 N--CA 1.441 -1.032 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.848 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 65.5 m -143.33 111.57 6.21 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.905 0.383 . . . . 0.0 110.329 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.9 m -119.63 153.63 54.35 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.495 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.3 45.92 1.49 Allowed 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.242 2.628 . . . . 0.0 112.697 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 63.9 t80 58.7 111.72 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.202 1.001 . . . . 0.0 112.579 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.437 ' O ' HG12 ' A' ' 111' ' ' ILE . 99.6 mttt -123.87 129.91 51.75 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.849 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -65.07 -33.73 76.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.286 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -66.18 -38.97 89.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.328 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 57.2 tp -61.82 -42.01 98.49 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.869 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 107' ' ' LYS . 44.3 mm -62.45 -43.04 97.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.942 179.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.4 m -61.57 -44.99 96.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -64.96 -42.66 94.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.777 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 94.9 mt -63.48 -43.36 97.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.908 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.2 p . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.301 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 121.402 0.62 . . . . 0.0 109.525 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.32 140.34 30.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.314 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -125.57 159.25 33.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -114.98 124.32 71.53 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.3 t -110.99 125.11 68.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -134.73 165.92 24.15 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 120.804 0.335 . . . . 0.0 111.548 -177.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.97 -6.56 10.25 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.181 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -132.11 -176.84 4.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.958 0.409 . . . . 0.0 111.145 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.88 163.82 30.5 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.658 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.476 ' HG2' HD23 ' A' ' 37' ' ' LEU . 1.5 tm-20 -74.28 89.81 2.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.35 0.595 . . . . 0.0 109.811 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.07 -32.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.269 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.407 HD13 HD12 ' A' ' 26' ' ' ILE . 2.9 pp -86.66 19.91 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.721 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.421 HG21 ' O ' ' A' ' 39' ' ' ASP . 22.0 m -51.49 -49.42 61.89 Favored 'General case' 0 C--O 1.206 -1.213 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -56.77 -35.43 68.65 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -175.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -75.95 -68.73 0.55 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.407 HD12 HD13 ' A' ' 22' ' ' ILE . 25.2 mt -64.87 -30.0 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -175.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 23' ' ' THR . 44.7 tp -59.86 -44.47 94.12 Favored 'General case' 0 C--O 1.205 -1.248 0 C-N-CA 121.249 -0.18 . . . . 0.0 110.692 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.69 84.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.943 0.401 . . . . 0.0 110.843 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -63.46 -48.21 78.62 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.08 -178.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -94.2 -7.92 40.83 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.691 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -65.18 -4.26 4.84 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.043 0.449 . . . . 0.0 111.523 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -58.86 -35.7 73.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.085 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -135.47 9.62 3.42 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.429 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.691 ' O ' ' HA ' ' A' ' 31' ' ' ALA . . . -172.84 -162.32 24.75 Favored Glycine 0 C--O 1.224 -0.501 0 C-N-CA 119.957 -1.116 . . . . 0.0 112.861 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -142.82 147.06 34.83 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.403 ' H ' ' CD1' ' A' ' 27' ' ' LEU . 13.1 mt -138.02 153.46 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.699 0.285 . . . . 0.0 111.324 -176.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.476 HD23 ' HG2' ' A' ' 20' ' ' GLU . 2.1 mp 68.76 -176.1 0.2 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.626 0.77 . . . . 0.0 111.737 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -118.77 32.47 6.12 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.421 ' O ' HG21 ' A' ' 23' ' ' THR . 22.6 t70 -143.56 141.67 30.78 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--N 1.317 -0.809 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.454 -177.953 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 CA--C 1.539 0.552 0 CA-C-O 121.121 0.486 . . . . 0.0 111.763 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -125.87 153.55 43.99 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.185 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 45.7 tt0 -74.74 139.57 43.49 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.286 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.3 p-80 -144.34 164.85 29.58 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.304 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.06 -138.14 8.19 Favored Glycine 0 N--CA 1.438 -1.224 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -101.51 -46.45 4.98 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 120.907 0.384 . . . . 0.0 111.302 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 p -112.13 2.85 16.92 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.611 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -138.33 145.77 41.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.843 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.0 m -127.82 126.79 42.33 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.444 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 69' ' ' GLU . 37.9 ttpt -97.49 108.83 21.63 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 pp -126.77 140.18 52.57 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.433 0.635 . . . . 0.0 112.061 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.532 HG22 ' H ' ' A' ' 80' ' ' ALA . 33.2 m -112.43 125.38 54.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.341 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -87.98 -7.42 57.12 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.682 0.277 . . . . 0.0 110.804 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.532 ' H ' HG22 ' A' ' 78' ' ' THR . . . 65.03 14.88 9.66 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.203 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -145.55 163.92 33.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.187 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -93.9 -20.38 20.09 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 120.74 0.305 . . . . 0.0 110.986 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.4 m -60.64 -45.71 93.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.322 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.3 t -87.02 -16.49 35.52 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.644 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -60.38 -52.47 65.1 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.597 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.7 -40.26 72.99 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.074 0.464 . . . . 0.0 111.883 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -63.49 -38.39 90.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.675 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.94 -19.99 65.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.08 -5.12 24.63 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -51.5 127.66 20.72 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -126.23 -119.97 0.26 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.492 -0.776 . . . . 0.0 108.965 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 54.66 -96.47 0.06 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.381 0.672 . . . . 0.0 112.756 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.81 8.12 59.54 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.62 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.4 m -74.91 85.44 2.24 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.607 0.717 . . . . 0.0 109.787 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.7 mt -113.65 124.29 70.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.001 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -126.84 134.9 50.43 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.4 t 62.77 19.85 11.73 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.24 0.543 . . . . 0.0 110.832 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.28 14.2 64.49 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.114 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.87 146.87 38.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.969 0.385 . . . . 0.0 110.661 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.17 138.98 50.03 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 57.3 mt -84.49 128.28 39.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.77 99.6 2.09 Favored Glycine 0 N--CA 1.433 -1.513 0 C-N-CA 120.261 -0.971 . . . . 0.0 112.352 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 58.9 m -111.43 110.08 20.36 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.7 m -136.75 158.49 72.97 Favored Pre-proline 0 C--N 1.315 -0.916 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.024 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.85 152.93 76.17 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.358 2.039 . . . . 0.0 111.06 176.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -56.72 127.65 32.56 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.131 0.491 . . . . 0.0 111.612 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -133.63 137.96 45.68 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -67.92 -40.9 83.3 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.079 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' ' 113' ' ' GLU . 43.2 tt0 -66.47 -35.27 79.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.759 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.85 -42.55 93.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.834 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.5 mm -61.43 -47.28 94.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.646 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.0 p -65.1 -39.33 92.98 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 60.8 mm-40 -63.14 -50.14 71.62 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 120.896 0.379 . . . . 0.0 110.978 -177.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.46 -37.21 86.75 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 56.6 m . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -178.155 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.2 m120 . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.488 0.661 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.19 145.16 38.99 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.764 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.2 m -118.42 155.21 20.51 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.54 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.8 t -115.2 126.76 72.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.3 t -115.13 132.24 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.117 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -141.38 164.96 28.82 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.007 -178.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.16 -10.06 9.47 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.86 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -121.03 -173.27 2.57 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.478 0.18 . . . . 0.0 111.069 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.699 ' O ' HG13 ' A' ' 22' ' ' ILE . 43.0 ttp180 -137.34 169.32 17.98 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.33 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HA ' HD22 ' A' ' 37' ' ' LEU . 34.1 tt0 -58.68 -29.34 66.54 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.122 0.569 . . . . 0.0 112.385 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.41 -14.0 61.52 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.699 HG13 ' O ' ' A' ' 19' ' ' ARG . 2.6 pp -107.33 13.82 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.559 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 92.7 m -50.64 -46.31 58.27 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -176.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -54.07 -36.29 62.98 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 123.381 0.426 . . . . 0.0 111.669 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -71.5 -57.18 4.66 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.3 mm -68.03 -22.43 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 121.572 0.701 . . . . 0.0 110.644 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.585 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 34.2 tp -60.33 -41.73 94.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.675 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.55 78.6 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -92.41 -72.36 0.6 Allowed 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -69.35 -37.68 77.76 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.784 ' HB2' HG12 ' A' ' 36' ' ' ILE . . . -79.68 -3.74 48.66 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -59.87 -30.84 69.26 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.239 0.543 . . . . 0.0 109.979 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -116.48 7.25 13.71 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.175 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.79 -138.87 2.5 Favored Glycine 0 C--O 1.224 -0.478 0 C-N-CA 119.639 -1.267 . . . . 0.0 113.91 -176.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -143.43 142.66 31.3 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.784 HG12 ' HB2' ' A' ' 31' ' ' ALA . 8.7 mm -123.44 -80.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.392 -178.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 20' ' ' GLU . 4.2 mp -114.61 -175.65 2.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.985 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -95.22 -177.49 4.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.899 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.2 t70 70.38 83.36 0.15 Allowed 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.719 0.771 . . . . 0.0 109.402 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--N 1.318 -0.768 0 CA-C-N 115.326 -0.852 . . . . 0.0 113.27 -171.623 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.435 ' HB3' ' HE3' ' A' ' 76' ' ' LYS . 43.0 mtm-85 -126.1 155.67 41.24 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.944 -178.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -74.23 125.5 28.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.932 0.396 . . . . 0.0 110.142 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -123.1 166.99 14.25 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.985 -177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.4 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -100.26 -150.46 24.77 Favored Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -89.61 -55.95 3.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.973 0.416 . . . . 0.0 111.632 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 p -112.12 11.55 20.4 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.44 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.4 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 67.9 p-90 -139.58 148.37 42.44 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.241 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 t -143.33 147.52 34.83 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.435 ' HE3' ' HB3' ' A' ' 68' ' ' ARG . 65.7 pttt -95.79 133.55 39.78 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.264 -0.575 . . . . 0.0 109.94 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.9 mt -104.9 116.25 31.67 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.278 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.8 m -110.68 111.48 22.7 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.457 ' HB3' ' OG ' ' A' ' 84' ' ' SER . 53.8 m-85 -101.06 -2.24 32.11 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -177.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 67.44 -55.47 0.47 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.546 0.738 . . . . 0.0 112.261 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -83.63 141.83 31.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.891 0.377 . . . . 0.0 110.454 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 85' ' ' TYR . 48.9 t60 -66.85 -34.09 77.04 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.672 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.2 p -60.84 -46.92 88.65 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.499 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.457 ' OG ' ' HB3' ' A' ' 79' ' ' TYR . 8.3 p -74.44 -32.34 62.59 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 177.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.427 ' HB3' ' HA ' ' A' ' 82' ' ' HIS . 45.5 t80 -59.39 -48.05 83.12 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.624 178.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 89' ' ' LEU . 51.2 tp -63.28 -39.06 93.53 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-O 120.747 0.308 . . . . 0.0 111.534 -177.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.519 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 77.9 mtt85 -68.39 -18.24 64.41 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.66 -12.58 60.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.833 0.349 . . . . 0.0 111.025 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 4.0 mm? -70.29 -3.94 19.59 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.55 0.74 . . . . 0.0 112.898 -178.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 87' ' ' ARG . 44.2 mmt180 -31.37 100.03 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.006 0.922 . . . . 0.0 113.469 -179.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -165.24 78.3 0.3 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -128.42 37.46 4.13 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.62 23.42 50.44 Favored Glycine 0 N--CA 1.439 -1.107 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -175.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.509 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 25.0 m -65.29 106.13 1.28 Allowed 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.143 -0.529 . . . . 0.0 110.464 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 86.5 mt -93.09 120.63 42.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.157 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.438 ' HD1' ' HG ' ' A' ' 97' ' ' CYS . 11.3 t80 -142.54 135.27 28.14 Favored 'General case' 0 N--CA 1.438 -1.074 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' CYS . . . . . 0.438 ' HG ' ' HD1' ' A' ' 96' ' ' TYR . 98.1 m 69.41 16.63 8.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.895 0.379 . . . . 0.0 111.511 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.33 -9.24 53.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.853 -0.689 . . . . 0.0 113.931 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -145.37 161.25 40.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.089 0.445 . . . . 0.0 110.696 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -74.98 132.17 41.18 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.154 177.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 41.5 pt -87.19 131.79 34.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.923 0.392 . . . . 0.0 110.456 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.66 124.4 8.22 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.67 -176.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 34.8 t -125.19 126.35 45.09 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.942 0.401 . . . . 0.0 110.814 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.411 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 19.7 m -141.66 158.12 63.59 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 22.1 Cg_endo -61.22 152.5 71.62 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.452 2.101 . . . . 0.0 111.568 178.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -58.78 117.83 5.04 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.217 0.532 . . . . 0.0 111.102 -177.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.554 ' O ' HG12 ' A' ' 111' ' ' ILE . 98.1 mttt -131.0 139.08 49.93 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.089 177.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -60.43 -41.02 93.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.779 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -63.59 -42.2 98.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.955 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.525 ' O ' HD13 ' A' ' 114' ' ' LEU . 34.7 tp -61.14 -45.35 95.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.238 0.542 . . . . 0.0 110.019 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 107' ' ' LYS . 47.0 mm -62.75 -43.33 98.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.57 -179.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.3 m -61.04 -46.55 90.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.873 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.9 -47.2 75.58 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.132 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 110' ' ' LEU . 10.9 mp -64.32 -41.87 96.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 59.3 m . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.973 0.416 . . . . 0.0 111.317 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.0 p30 . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.52 130.51 37.06 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.787 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -126.06 160.1 33.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.6 t -112.64 118.03 56.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.457 HG12 ' HE2' ' A' ' 18' ' ' TYR . 45.3 t -113.89 126.38 71.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -142.36 168.83 18.8 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.391 -177.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.58 -11.35 10.37 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.195 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.457 ' HE2' HG12 ' A' ' 15' ' ' VAL . 37.4 p90 -113.74 -172.38 2.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.438 0.161 . . . . 0.0 110.863 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.607 ' O ' HG13 ' A' ' 22' ' ' ILE . 23.0 ptt180 -135.72 173.67 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.896 0.379 . . . . 0.0 111.29 -176.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.5 -38.61 84.57 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.387 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.6 -14.06 48.02 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -174.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.607 HG13 ' O ' ' A' ' 19' ' ' ARG . 2.6 pp -97.29 27.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 122.108 -0.37 . . . . 0.0 111.46 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.639 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 30.6 m -44.26 -71.45 0.08 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HE2' ' HB3' ' A' ' 40' ' ' LEU . 3.6 mptp? -60.13 -29.48 68.66 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -176.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.451 ' HB3' ' CE1' ' A' ' 96' ' ' TYR . 81.1 mt-30 -60.77 -71.36 0.14 Allowed 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -177.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.492 HG22 HG21 ' A' ' 36' ' ' ILE . 27.3 mt -68.89 -23.41 27.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 CA-C-O 120.92 0.39 . . . . 0.0 111.744 -179.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 23' ' ' THR . 25.9 tp -58.81 -46.49 87.49 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.289 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.01 70.23 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.48 ' HD2' ' CD2' ' A' ' 30' ' ' PHE . 86.6 t80 -85.64 -48.27 9.04 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CD2' ' HD2' ' A' ' 29' ' ' TYR . 24.0 m-85 -85.8 -3.85 59.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -177.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -38.19 -29.32 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.732 1.213 . . . . 0.0 114.073 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -56.96 -30.18 63.85 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.084 0.468 . . . . 0.0 110.866 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.449 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 96.5 m-85 -88.85 -43.79 10.95 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.976 178.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.491 ' O ' HG12 ' A' ' 36' ' ' ILE . . . 114.42 -95.81 0.75 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.643 -0.789 . . . . 0.0 114.102 175.501 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.549 ' O ' HD22 ' A' ' 77' ' ' LEU . 9.4 pt-20 -59.69 114.61 2.84 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-O 120.845 0.355 . . . . 0.0 111.607 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.492 HG21 HG22 ' A' ' 26' ' ' ILE . 37.2 mm -134.4 -63.47 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 121.308 0.575 . . . . 0.0 110.543 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.528 ' CD1' ' HA ' ' A' ' 23' ' ' THR . 71.3 mt -132.33 -167.03 1.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.079 -177.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -59.78 -42.72 93.98 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.501 0.501 . . . . 0.0 111.551 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.479 ' OD1' HD21 ' A' ' 27' ' ' LEU . 21.9 t70 71.78 171.79 0.31 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.623 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.478 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 40.8 tp . . . . . 0 N--CA 1.433 -1.314 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.586 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 CA--C 1.511 -0.536 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -80.93 152.87 27.84 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.209 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -74.28 125.73 29.08 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.84 -176.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -152.38 168.27 25.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.767 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.46 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -99.71 -78.82 1.4 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.193 -1.003 . . . . 0.0 112.147 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.9 ttp85 -169.8 -56.18 0.02 OUTLIER 'General case' 0 CA--C 1.495 -1.157 0 CA-C-O 121.603 0.716 . . . . 0.0 109.741 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.8 p -103.72 2.52 33.13 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.924 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.46 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 59.5 p-90 -142.11 144.18 33.39 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.414 -1.266 . . . . 0.0 108.891 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.5 m -126.29 126.85 44.65 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -84.96 108.25 17.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.549 HD22 ' O ' ' A' ' 35' ' ' GLU . 31.9 mt -92.77 116.57 29.14 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.064 -174.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.3 m -112.86 113.3 25.31 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.992 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -104.01 -15.52 15.58 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.08 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.06 6.07 5.43 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.233 0.613 . . . . 0.0 110.901 -176.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -127.32 142.89 51.33 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.723 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.51 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 69.6 t60 -87.78 -24.03 23.89 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.2 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.5 t -63.44 -41.49 98.66 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.061 0.457 . . . . 0.0 110.901 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.7 p -67.78 -20.05 65.16 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.574 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.51 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 57.9 t80 -60.0 -49.82 76.15 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.431 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.57 -41.32 88.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.109 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -63.75 -43.52 96.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.613 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.449 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -81.34 -12.87 58.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.79 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 85' ' ' TYR . 27.4 tp -67.15 -8.13 28.72 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.106 0.562 . . . . 0.0 112.222 -175.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.522 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 32.4 ptt-85 -72.72 87.89 1.28 Allowed 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -176.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -83.57 -35.66 24.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.45 0.643 . . . . 0.0 110.048 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -83.0 127.41 33.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.449 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.45 -4.66 66.97 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.822 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 m -109.78 87.57 2.54 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-O 121.249 0.547 . . . . 0.0 110.547 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.5 mt -112.39 118.84 58.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.937 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.451 ' CE1' ' HB3' ' A' ' 25' ' ' GLN . 12.6 t80 -126.46 134.32 50.99 Favored 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.8 t 62.13 25.46 15.25 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.222 0.534 . . . . 0.0 111.061 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.51 19.12 66.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.172 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -142.91 149.41 38.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.848 0.356 . . . . 0.0 111.084 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.44 126.41 41.61 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 46.1 pt -85.73 134.67 26.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-O 120.986 0.422 . . . . 0.0 110.22 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -99.21 110.96 4.11 Favored Glycine 0 N--CA 1.436 -1.332 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.51 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 35.6 m -104.88 101.38 10.97 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.7 m -124.61 157.92 63.84 Favored Pre-proline 0 C--N 1.311 -1.095 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.927 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -61.8 153.2 69.51 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 122.431 2.088 . . . . 0.0 111.086 177.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -61.78 98.7 0.1 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.222 0.534 . . . . 0.0 111.379 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.475 ' O ' HG12 ' A' ' 111' ' ' ILE . 68.2 mttm -97.98 129.55 44.86 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.472 177.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -65.8 -42.42 90.74 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -68.97 -35.22 76.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.649 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 52.0 tp -61.91 -39.8 93.28 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.858 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 107' ' ' LYS . 36.7 mm -61.56 -43.83 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.945 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.3 m -59.81 -41.28 90.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.928 0.394 . . . . 0.0 110.256 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -62.26 -44.77 95.78 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 4.0 pp -88.83 -13.99 38.02 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 -176.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--N 1.313 -1.0 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 N--CA 1.47 0.533 0 CA-C-O 121.077 0.465 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.3 143.98 30.91 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.648 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 76' ' ' LYS . 28.4 m -120.36 156.81 23.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 120.876 0.37 . . . . 0.0 110.794 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.4 t -110.23 118.0 56.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.8 t -110.19 128.63 66.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -143.77 168.82 19.02 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.871 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.38 6.73 56.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.768 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.517 ' HB2' HD11 ' A' ' 22' ' ' ILE . 47.3 p90 -106.46 156.76 18.21 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.886 0.374 . . . . 0.0 110.264 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.8 ttm-85 -108.4 148.56 29.95 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.577 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -74.75 67.36 1.59 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.691 0.757 . . . . 0.0 110.226 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.5 -36.09 0.13 Allowed 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.126 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.517 HD11 ' HB2' ' A' ' 18' ' ' TYR . 2.4 pp -82.86 30.2 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.204 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.721 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 55.9 m -46.71 -76.68 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -174.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -18.45 61.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.947 0.403 . . . . 0.0 111.269 -176.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.482 ' HB3' ' OH ' ' A' ' 96' ' ' TYR . 22.5 mp0 -63.62 -48.55 76.88 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.457 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.5 tt -96.49 -14.79 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-O 121.156 0.503 . . . . 0.0 110.86 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.721 ' HB2' ' O ' ' A' ' 23' ' ' THR . 11.4 tp -61.58 -41.88 98.06 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.755 -177.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -12.74 60.43 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -94.78 -63.35 1.18 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.795 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -89.63 -35.78 15.65 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.849 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -65.57 -8.45 20.02 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -171.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -61.43 -25.52 67.26 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 120.653 0.263 . . . . 0.0 111.086 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -128.63 15.99 6.46 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.365 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.849 ' O ' ' HA ' ' A' ' 31' ' ' ALA . . . 171.26 125.88 0.84 Allowed Glycine 0 C--O 1.22 -0.755 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.625 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -59.73 141.9 54.24 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.089 0.404 . . . . 0.0 112.089 -178.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.8 mm -110.58 -60.06 3.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.574 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 23' ' ' THR . 5.8 mp -105.14 169.73 8.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.216 0.532 . . . . 0.0 111.796 -178.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.24 -22.63 33.05 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.807 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.508 ' HB3' HG21 ' A' ' 23' ' ' THR . 32.8 t70 -82.76 145.68 29.41 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.594 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -178.567 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 CA--C 1.547 0.86 0 CA-C-O 121.156 0.503 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -136.4 157.03 47.77 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 178.724 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.21 153.21 39.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.642 0.258 . . . . 0.0 111.063 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.496 ' HB2' ' HA ' ' A' ' 75' ' ' THR . 51.6 p-80 -156.61 -177.88 6.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.016 -177.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.96 -159.1 9.47 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -76.04 128.73 35.63 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.934 0.397 . . . . 0.0 111.032 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.0 p 57.9 10.03 1.04 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 55.6 p-90 -143.79 140.34 29.84 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 120.746 0.307 . . . . 0.0 110.672 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.496 ' HA ' ' HB2' ' A' ' 70' ' ' HIS . 12.0 t -142.5 147.75 36.54 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.015 0.436 . . . . 0.0 111.098 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 21.9 ptmt -109.48 118.59 37.02 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 176.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -126.14 148.29 49.43 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.31 0.576 . . . . 0.0 111.817 -176.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.2 m -111.67 117.67 33.53 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -86.47 -16.93 35.56 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.359 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.44 -63.82 0.41 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.651 0.781 . . . . 0.0 111.243 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -73.61 136.19 43.9 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.159 0.504 . . . . 0.0 111.041 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.474 ' HA ' ' HB3' ' A' ' 85' ' ' TYR . 47.0 p-80 -68.66 -27.64 66.18 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.148 -178.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 m -60.65 -47.22 87.2 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.038 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -72.64 -35.01 67.67 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.362 0.601 . . . . 0.0 110.244 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.474 ' HB3' ' HA ' ' A' ' 82' ' ' HIS . 59.4 t80 -60.42 -52.38 65.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.494 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.5 tp -63.67 -36.77 84.94 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 121.13 0.491 . . . . 0.0 111.022 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.92 -25.42 67.57 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.675 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.83 -11.66 59.56 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.198 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.99 -7.0 52.37 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -68.24 118.53 11.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.088 0.47 . . . . 0.0 110.938 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -141.87 4.42 1.68 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.201 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -64.82 -45.85 84.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -144.19 26.42 2.02 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 119.963 -1.113 . . . . 0.0 112.991 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.3 m -89.61 97.92 11.47 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.408 0.623 . . . . 0.0 110.506 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 78.1 mt -114.25 127.61 71.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.125 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.482 ' OH ' ' HB3' ' A' ' 25' ' ' GLN . 10.7 t80 -140.23 139.98 35.72 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.3 t 72.54 17.93 4.52 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.326 0.584 . . . . 0.0 110.59 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.1 0.06 66.14 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.516 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.406 ' C ' HG23 ' A' ' 95' ' ' ILE . . . -145.43 153.09 40.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.975 0.387 . . . . 0.0 111.133 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -69.94 137.77 51.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.006 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.4 pt -90.12 138.24 19.84 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.132 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.65 119.11 6.36 Favored Glycine 0 N--CA 1.434 -1.461 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.438 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 49.7 t -130.74 117.76 19.88 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.9 m -140.89 158.65 64.64 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.774 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.44 149.47 90.75 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.223 1.949 . . . . 0.0 111.225 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -53.68 126.75 23.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.731 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.547 ' O ' HG12 ' A' ' 111' ' ' ILE . 68.2 mttm -129.79 127.1 39.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.622 177.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -61.09 -41.37 96.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.314 0.578 . . . . 0.0 110.197 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.77 -41.72 95.64 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.908 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.46 -42.05 99.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.52 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 107' ' ' LYS . 46.3 mm -61.97 -41.52 91.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.85 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.9 m -59.08 -43.41 91.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.293 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -65.62 -44.18 87.27 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.63 0.252 . . . . 0.0 110.735 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.31 -42.3 99.0 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.6 p . . . . . 0 N--CA 1.444 -0.737 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.641 -179.191 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.3 p30 . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.65 138.41 53.94 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 76' ' ' LYS . 27.7 m -124.06 156.64 31.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 120.985 0.421 . . . . 0.0 110.966 -178.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.506 HG23 ' HA ' ' A' ' 106' ' ' TYR . 59.6 t -111.87 111.55 36.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.283 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 176.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.473 HG12 ' HE2' ' A' ' 18' ' ' TYR . 10.4 t -100.19 127.63 52.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -144.06 165.23 28.37 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.983 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.09 -11.2 10.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.357 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.473 ' HE2' HG12 ' A' ' 15' ' ' VAL . 23.8 p90 -107.54 163.21 13.26 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.499 0.19 . . . . 0.0 111.219 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -85.07 -86.59 0.13 Allowed 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -175.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -165.16 -65.91 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 111.093 -174.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.33 8.13 2.41 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.79 -177.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.448 HG12 ' HB2' ' A' ' 18' ' ' TYR . 2.9 pp -84.5 1.87 4.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.555 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.408 HG21 ' O ' ' A' ' 39' ' ' ASP . 10.9 m -59.39 -45.89 90.22 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -51.85 -35.02 43.23 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.245 0.545 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.567 ' HB3' ' OH ' ' A' ' 96' ' ' TYR . 98.4 mt-30 -77.68 -62.18 1.75 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.991 -178.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.0 tt -66.77 -27.33 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -175.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.98 -33.41 74.26 Favored 'General case' 0 C--O 1.203 -1.345 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.223 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.7 -36.92 58.1 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -89.92 -45.94 8.88 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -83.38 -7.06 59.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -173.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.16 -25.73 61.85 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.553 0.216 . . . . 0.0 111.431 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -62.05 -33.45 74.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.152 0.501 . . . . 0.0 110.259 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -76.7 -48.62 18.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.772 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.66 -139.84 6.78 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 119.862 -1.161 . . . . 0.0 113.97 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.415 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 13.7 pt-20 -86.74 148.92 25.22 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.898 0.879 . . . . 0.0 111.692 -176.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.3 mt -137.35 -76.09 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 120.786 0.327 . . . . 0.0 111.544 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mp -98.37 169.63 9.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.364 0.602 . . . . 0.0 112.337 -177.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -69.77 -36.59 75.88 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.63 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' O ' HG21 ' A' ' 23' ' ' THR . 32.9 t70 -80.45 110.46 15.93 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.691 -178.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--N 1.314 -0.946 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.406 -178.697 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -98.19 159.4 14.96 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.723 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -71.74 130.35 40.89 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.208 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.0 p-80 -123.91 144.8 49.55 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.115 0.483 . . . . 0.0 111.494 -177.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.406 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -98.0 -163.58 31.09 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.644 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -78.48 -54.03 6.59 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.2 p -114.11 8.83 17.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 121.258 0.552 . . . . 0.0 111.504 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.406 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 65.0 p-90 -137.26 146.52 44.83 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.26 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.7 m -127.53 127.23 43.62 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.969 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 39.6 ttpt -91.01 116.77 29.06 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -112.56 129.1 56.48 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.8 m -110.6 111.09 22.08 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -88.78 -23.36 22.9 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.54 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.88 -61.72 0.44 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.747 0.819 . . . . 0.0 111.227 -178.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -75.74 130.91 39.41 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.083 0.468 . . . . 0.0 110.205 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -77.47 -13.55 59.89 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.413 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.7 m -59.1 -45.34 91.14 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.267 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -93.2 -14.46 27.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.07 0.462 . . . . 0.0 111.031 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -60.7 -47.52 85.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.668 -177.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.6 mp -63.33 -38.65 91.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -60.11 -43.59 95.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.357 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.72 -12.84 58.45 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.844 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.1 tp -67.06 -6.86 19.04 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.013 0.525 . . . . 0.0 112.398 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -66.36 105.97 1.59 Allowed 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.544 0.688 . . . . 0.0 112.186 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.07 7.42 18.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.662 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -123.47 142.85 50.59 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.953 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.02 32.37 83.96 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.333 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.5 m -135.96 91.93 2.75 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 121.237 0.541 . . . . 0.0 110.887 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.522 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 98.0 mt -113.47 125.74 70.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.939 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.567 ' OH ' ' HB3' ' A' ' 25' ' ' GLN . 42.2 t80 -136.92 140.81 42.56 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.293 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.6 t 70.42 -15.39 0.36 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.61 0.764 . . . . 0.0 112.388 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.07 -18.97 2.91 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.687 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.04 155.7 45.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.707 0.289 . . . . 0.0 110.949 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -73.79 134.66 43.43 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.166 177.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.7 pt -91.59 120.42 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.457 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -99.36 111.94 4.34 Favored Glycine 0 N--CA 1.431 -1.693 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.169 -177.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 48.0 t -113.08 103.29 11.22 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.438 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 13.6 m -132.9 161.71 61.99 Favored Pre-proline 0 C--N 1.316 -0.871 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.306 -178.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.438 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 16.2 Cg_endo -58.8 151.83 61.49 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.218 1.945 . . . . 0.0 111.563 178.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.506 ' HA ' HG23 ' A' ' 14' ' ' VAL . 83.2 t80 -34.83 -67.26 0.15 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -174.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 63.24 124.56 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.718 0.77 . . . . 0.0 112.535 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -67.4 -44.26 79.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.815 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -69.37 -34.22 74.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.147 -178.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.438 ' O ' HD13 ' A' ' 114' ' ' LEU . 46.0 tp -61.06 -41.69 97.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.818 -177.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.8 mm -61.65 -43.57 97.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.1 m -60.94 -40.82 94.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.07 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -64.05 -43.06 96.68 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.272 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 110' ' ' LEU . 10.8 mp -74.42 -9.77 58.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.004 0.43 . . . . 0.0 111.817 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 53.0 m . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.655 178.303 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 . . . . . 0 C--O 1.236 0.359 0 CA-C-O 120.88 0.371 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.91 131.88 34.2 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.087 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.96 162.43 37.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.564 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.4 t -116.25 119.58 62.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.394 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.509 HG12 ' HE2' ' A' ' 18' ' ' TYR . 21.3 t -104.88 128.36 58.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -136.69 165.9 24.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.202 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.81 -6.97 13.48 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.54 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.556 ' HB2' HD11 ' A' ' 22' ' ' ILE . 32.1 p90 -115.1 175.49 5.48 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.043 0.449 . . . . 0.0 111.698 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -123.04 151.15 42.21 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.158 -177.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.612 ' HA ' HD21 ' A' ' 37' ' ' LEU . 40.3 tt0 -67.41 77.39 0.17 Allowed 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.193 176.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -175.07 -30.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.628 HD12 ' HB ' ' A' ' 26' ' ' ILE . 5.4 pt -87.12 34.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.561 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.398 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.645 HG21 ' HB2' ' A' ' 39' ' ' ASP . 6.4 m -59.48 -52.8 64.01 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -64.46 -34.98 79.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.852 0.358 . . . . 0.0 111.763 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -62.81 -68.87 0.3 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.091 -177.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.628 ' HB ' HD12 ' A' ' 22' ' ' ILE . 14.6 tt -69.87 -30.17 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.325 -174.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HG ' ' HB2' ' A' ' 31' ' ' ALA . 35.4 tp -64.08 -32.66 74.3 Favored 'General case' 0 C--O 1.203 -1.382 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.201 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.95 -28.33 36.63 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.804 0.335 . . . . 0.0 111.301 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -93.43 -45.23 7.88 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.963 0.411 . . . . 0.0 111.85 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -89.08 -7.44 55.82 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -173.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.445 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . . . -59.34 -26.31 64.94 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -71.74 -17.29 62.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.178 0.513 . . . . 0.0 110.158 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.412 ' HB3' ' CE1' ' A' ' 79' ' ' TYR . 95.9 m-85 -103.03 -42.32 5.83 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.981 -178.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.57 179.31 46.84 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.39 -0.909 . . . . 0.0 113.0 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -93.46 134.61 35.53 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.084 0.554 . . . . 0.0 110.235 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.489 HG22 ' CD1' ' A' ' 37' ' ' LEU . 5.1 mt -125.84 130.49 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.286 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.612 HD21 ' HA ' ' A' ' 20' ' ' GLU . 10.6 mp 75.53 167.46 0.28 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.631 0.772 . . . . 0.0 112.309 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -89.3 1.68 55.41 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -172.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.645 ' HB2' HG21 ' A' ' 23' ' ' THR . 6.2 m-20 -65.09 -79.9 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 118.53 0.605 . . . . 0.0 111.695 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 N--CA 1.483 1.186 0 C-N-CA 123.728 0.811 . . . . 0.0 112.734 178.816 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -129.97 152.07 49.83 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.447 ' HG2' ' HE2' ' A' ' 76' ' ' LYS . 22.5 pt-20 -82.79 136.02 34.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.986 0.422 . . . . 0.0 110.331 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.406 ' CB ' ' HA ' ' A' ' 75' ' ' THR . 45.0 p-80 -158.16 166.63 31.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.994 -178.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.33 -143.87 13.29 Favored Glycine 0 N--CA 1.436 -1.31 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 177.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -108.36 -14.59 14.65 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.036 -0.665 . . . . 0.0 110.491 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.6 p -126.84 -0.84 6.65 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.682 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 -142.64 145.04 33.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.306 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.48 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 87.8 m -137.94 134.12 34.57 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.297 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HE2' ' HG2' ' A' ' 69' ' ' GLU . 39.1 ttpt -88.18 117.62 27.2 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.5 mt -107.64 123.73 48.92 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.222 0.534 . . . . 0.0 110.87 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.8 m -110.47 113.08 25.45 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 33' ' ' PHE . 10.1 m-85 -96.43 -9.19 30.4 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.154 -178.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 63.01 7.44 2.68 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.396 -178.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -130.47 140.54 50.53 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.795 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.407 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 57.1 p-80 -87.07 -20.64 26.85 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.396 -178.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.2 t -62.49 -43.88 97.74 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.989 0.423 . . . . 0.0 111.154 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.0 p -84.39 -15.26 46.94 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.532 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 46.2 t80 -59.8 -50.59 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.16 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.49 -42.5 95.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.803 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -65.56 -37.27 86.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.084 0.469 . . . . 0.0 111.282 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.15 -13.22 62.1 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.102 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 85' ' ' TYR . 45.1 mt -74.99 -5.56 44.59 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -176.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.531 ' HD3' ' OG1' ' A' ' 94' ' ' THR . 14.9 ptp180 -53.32 128.17 27.32 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 120.989 0.423 . . . . 0.0 111.338 179.113 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.477 ' HA ' ' O ' ' A' ' 101' ' ' ILE . 14.8 pt-20 -146.21 13.01 1.24 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -110.97 -70.35 0.82 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.835 0.35 . . . . 0.0 111.652 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.9 57.62 1.09 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.685 -0.769 . . . . 0.0 113.052 -176.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.531 ' OG1' ' HD3' ' A' ' 90' ' ' ARG . 87.3 m -150.22 103.18 3.15 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.223 0.535 . . . . 0.0 110.372 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 95.5 mt -114.24 124.11 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.444 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -121.29 128.06 51.97 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.7 t 62.85 23.18 13.84 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 121.07 0.462 . . . . 0.0 111.189 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.25 10.97 73.38 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.91 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.29 138.49 50.5 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.48 137.55 44.55 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.328 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 91' ' ' GLU . 51.1 mt -87.12 126.0 40.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.26 121.15 5.2 Favored Glycine 0 N--CA 1.437 -1.286 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.925 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.5 ' SG ' HG22 ' A' ' 15' ' ' VAL . 49.5 t -132.64 128.4 36.99 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.07 165.57 33.81 Favored Pre-proline 0 C--N 1.316 -0.883 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.616 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -61.48 148.79 92.11 Favored 'Trans proline' 0 C--O 1.239 0.531 0 C-N-CA 122.163 1.909 . . . . 0.0 110.794 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.493 ' CE1' HD11 ' A' ' 111' ' ' ILE . 78.9 t80 -63.72 95.83 0.12 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.119 0.485 . . . . 0.0 110.943 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -97.37 138.22 35.16 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.613 177.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -67.33 -38.52 85.03 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.647 -177.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.86 -28.33 67.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.969 0.414 . . . . 0.0 110.682 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.55 -36.59 81.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.771 178.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.493 HD11 ' CE1' ' A' ' 106' ' ' TYR . 46.0 mm -61.3 -42.79 94.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.577 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.5 m -60.35 -41.16 93.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.348 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -62.24 -50.73 70.6 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.273 0.558 . . . . 0.0 110.332 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.14 -42.14 96.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.137 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.9 p . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.893 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.0 p30 . . . . . 0 C--O 1.237 0.399 0 CA-C-O 120.935 0.398 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.56 134.19 52.62 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.072 0.463 . . . . 0.0 111.758 -178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 m -116.4 156.3 17.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.902 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.23 112.26 39.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 102' ' ' GLY . 22.3 t -113.72 132.75 61.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.483 ' HB3' ' HB3' ' A' ' 74' ' ' TRP . 32.3 p90 -142.73 165.31 27.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.656 -178.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.81 10.41 8.39 Favored Glycine 0 N--CA 1.459 0.182 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.539 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.443 ' HE2' HG12 ' A' ' 15' ' ' VAL . 28.6 p90 -139.93 167.35 22.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.751 0.31 . . . . 0.0 110.75 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -124.19 158.78 31.59 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -74.37 87.23 2.02 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -176.62 -29.88 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.755 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.4 HD11 ' HB2' ' A' ' 18' ' ' TYR . 1.9 pp -97.53 31.24 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.378 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.482 HG23 HD12 ' A' ' 37' ' ' LEU . 7.8 m -57.99 -48.61 79.49 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.251 -174.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.465 ' HE3' ' O ' ' A' ' 40' ' ' LEU . 11.0 mptt -61.66 -39.34 91.04 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.853 -173.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -65.98 -63.6 1.05 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.956 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 tt -67.79 -30.95 50.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -175.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.461 ' HG ' HD23 ' A' ' 40' ' ' LEU . 2.9 tm? -63.31 -41.83 98.97 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.965 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.42 -28.63 67.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -85.29 -48.13 9.37 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.956 0.407 . . . . 0.0 111.576 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -84.22 -7.47 59.34 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -175.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.95 -23.46 53.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.643 0.258 . . . . 0.0 111.524 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -58.44 -26.09 62.94 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.251 0.548 . . . . 0.0 109.54 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -107.69 -48.26 3.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.707 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.31 -167.32 36.01 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.785 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -94.42 158.28 15.63 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 mm -107.09 -77.55 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -175.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.482 HD12 HG23 ' A' ' 23' ' ' THR . 1.7 pp -138.43 -174.37 3.8 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -177.026 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -66.93 169.84 7.58 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -173.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 52.36 76.69 0.18 Allowed 'General case' 0 C--N 1.35 0.601 0 C-N-CA 124.915 1.286 . . . . 0.0 113.369 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.465 ' O ' ' HE3' ' A' ' 24' ' ' LYS . 6.1 mp . . . . . 0 C--N 1.317 -0.811 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 C--O 1.242 0.685 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.0 mmt-85 -120.62 149.0 43.16 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 120.91 0.386 . . . . 0.0 111.189 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.9 162.7 28.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.373 -177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -105.78 146.69 29.52 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.128 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.13 -92.55 2.03 Favored Glycine 0 N--CA 1.44 -1.087 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.238 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -128.09 -85.57 0.58 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.957 0.408 . . . . 0.0 110.591 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.2 p -114.84 21.97 13.89 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.608 0.718 . . . . 0.0 110.194 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.483 ' HB3' ' HB3' ' A' ' 16' ' ' PHE . 65.4 p-90 -134.61 148.01 50.33 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.169 -178.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 38.0 m -134.38 129.5 35.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.047 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -88.29 107.77 18.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.415 HD13 ' OH ' ' A' ' 79' ' ' TYR . 94.4 mt -92.85 118.59 31.28 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.276 0.56 . . . . 0.0 111.632 -175.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 87.8 m -112.37 114.19 26.79 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.865 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.415 ' OH ' HD13 ' A' ' 77' ' ' LEU . 98.0 m-85 -108.45 7.07 26.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.713 -178.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.36 -53.61 0.64 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.583 0.753 . . . . 0.0 112.501 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -81.99 144.95 30.53 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-O 120.977 0.418 . . . . 0.0 110.727 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.411 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 51.5 p-80 -74.4 -22.66 59.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.233 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.666 ' O ' ' HG2' ' A' ' 87' ' ' ARG . 11.1 m -62.05 -51.39 68.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.329 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -65.46 -33.47 76.02 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.227 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.411 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 19.8 t80 -57.28 -50.17 73.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.663 177.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.1 tp -67.51 -37.37 82.7 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.131 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.666 ' HG2' ' O ' ' A' ' 83' ' ' SER . 30.1 mmm180 -63.41 -37.21 86.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.586 -178.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.51 -12.94 60.11 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.906 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.9 tp -67.63 -7.49 26.99 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.228 0.611 . . . . 0.0 111.896 -177.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -58.1 86.6 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -105.39 -9.83 17.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.154 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -59.79 91.78 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 -176.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.89 32.5 84.13 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.723 177.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.8 m -86.26 90.79 8.27 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.017 0.437 . . . . 0.0 110.627 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.527 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 93.2 mt -102.86 126.66 57.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.329 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -134.34 134.55 41.92 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 52.8 t 73.62 -37.01 0.36 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.02 0.528 . . . . 0.0 111.632 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.76 -31.53 0.27 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.908 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -111.47 160.85 16.73 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -84.87 136.72 33.53 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.49 178.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 40.6 pt -86.77 136.49 22.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.501 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -98.86 115.67 5.37 Favored Glycine 0 N--CA 1.433 -1.505 0 C-N-CA 120.501 -0.856 . . . . 0.0 112.268 -177.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 56.6 m -109.78 102.06 10.89 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.2 m -123.23 158.01 59.45 Favored Pre-proline 0 C--N 1.312 -1.06 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.367 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.1 152.04 82.25 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.869 2.379 . . . . 0.0 110.995 177.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -56.89 102.29 0.08 Allowed 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.422 0.451 . . . . 0.0 111.256 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.464 ' O ' HG12 ' A' ' 111' ' ' ILE . 60.3 mtpt -101.93 134.92 44.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.232 177.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -63.89 -47.56 80.16 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.74 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -68.8 -33.14 73.35 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.315 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 50.1 tp -59.89 -40.73 89.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.721 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 107' ' ' LYS . 45.6 mm -61.82 -43.97 98.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.3 m -61.51 -42.77 99.31 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -58.74 -49.58 77.1 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.817 0.341 . . . . 0.0 110.497 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.98 -43.35 95.99 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.432 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.3 p . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.61 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 77' ' ' LEU . . . -135.26 143.18 46.15 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.51 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.27 160.27 42.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.505 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -107.94 114.44 46.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.417 HG12 ' HE2' ' A' ' 18' ' ' TYR . 21.5 t -109.09 127.3 65.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -141.93 173.34 11.6 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.871 0.367 . . . . 0.0 111.485 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.76 -2.57 23.09 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.685 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.417 ' HE2' HG12 ' A' ' 15' ' ' VAL . 36.4 p90 -125.94 176.1 7.22 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.757 0.313 . . . . 0.0 111.309 -178.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -128.32 166.31 18.88 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.596 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 36.8 tt0 -76.68 86.16 3.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.24 0.543 . . . . 0.0 109.629 177.409 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -168.23 -39.66 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.363 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 pp -88.5 21.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.354 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.4 m -61.0 -47.93 84.18 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.298 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -56.52 -37.26 70.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.47 0.652 . . . . 0.0 109.425 -178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -72.47 -67.05 0.58 Allowed 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.426 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.4 tt -66.16 -33.5 63.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 2.4 tm? -63.27 -39.65 95.18 Favored 'General case' 0 C--O 1.203 -1.379 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.372 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.39 -34.48 73.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.772 0.32 . . . . 0.0 111.787 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -83.28 -46.83 12.17 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.742 0.306 . . . . 0.0 111.794 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' HB3' HD11 ' A' ' 36' ' ' ILE . 54.2 m-85 -83.78 -4.9 59.01 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -177.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -56.32 -14.97 3.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.459 0.304 . . . . 0.0 111.725 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -60.26 -27.49 67.28 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -95.75 -67.65 0.84 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.533 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.26 -161.35 25.66 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.255 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.45 139.77 57.08 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.856 0.328 . . . . 0.0 110.298 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.47 ' O ' HG21 ' A' ' 75' ' ' THR . 43.5 mm -103.83 -54.52 6.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 120.906 0.384 . . . . 0.0 110.531 178.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 5.2 mp -117.82 179.6 4.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.315 179.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.73 -37.49 86.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.72 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.75 142.11 49.76 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.854 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.312 -1.036 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.037 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -134.04 148.59 51.09 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 1.2 pm0 -75.56 147.86 39.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.958 0.409 . . . . 0.0 111.5 -178.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -154.25 169.75 22.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -176.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.65 -163.86 23.38 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -94.8 -19.68 20.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.247 0.524 . . . . 0.0 111.506 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.9 p -123.43 -2.72 8.45 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.65 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -143.12 147.84 35.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.425 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.47 HG21 ' O ' ' A' ' 36' ' ' ILE . 59.3 m -128.04 132.54 49.09 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 120.951 0.405 . . . . 0.0 111.57 -178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 69' ' ' GLU . 83.9 tttt -91.31 113.73 26.08 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 176.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 12' ' ' ALA . 96.7 mt -112.76 124.57 52.88 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.038 0.447 . . . . 0.0 111.52 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.9 m -111.03 123.74 50.78 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.43 ' C ' ' H ' ' A' ' 81' ' ' ASN . 47.8 m-85 -103.59 -3.72 24.83 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.273 -176.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.95 -36.23 0.34 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.671 0.788 . . . . 0.0 111.793 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.43 ' H ' ' C ' ' A' ' 79' ' ' TYR . 88.0 m-20 -99.36 139.57 34.82 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.475 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 45.2 p-80 -80.47 -15.78 55.93 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.18 0.514 . . . . 0.0 110.293 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.5 m -62.14 -40.41 95.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.592 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m -71.85 -18.57 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.337 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.475 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 62.3 t80 -60.13 -49.28 78.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.21 -42.61 96.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.055 0.455 . . . . 0.0 111.202 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -67.95 -42.19 81.32 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.715 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.93 -13.52 60.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.997 0.427 . . . . 0.0 111.632 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.4 tp -79.53 -6.0 56.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.694 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 90' ' ' ARG . 12.0 ptm180 -49.04 108.94 0.21 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -108.76 4.46 23.71 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.419 175.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -76.13 93.1 3.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.325 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.53 28.62 73.43 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.703 -0.68 . . . . 0.0 113.134 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 18.2 m -82.36 82.81 7.69 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.332 0.587 . . . . 0.0 110.355 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 97.5 mt -111.54 126.09 68.9 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.353 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -136.4 133.08 36.33 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.301 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 49.4 t 68.15 16.25 9.42 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.463 0.649 . . . . 0.0 110.609 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.21 -10.63 61.72 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.686 -0.688 . . . . 0.0 113.107 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.19 146.41 50.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 117.154 0.477 . . . . 0.0 111.698 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -77.62 142.42 38.91 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.216 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.8 pt -97.48 154.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.097 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.74 131.58 9.74 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.465 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.5 p -131.44 130.4 42.46 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.869 0.366 . . . . 0.0 110.654 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.9 m -132.64 161.58 62.48 Favored Pre-proline 0 C--N 1.315 -0.894 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.704 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -65.3 160.89 40.19 Favored 'Trans proline' 0 C--O 1.239 0.528 0 C-N-CA 121.936 1.757 . . . . 0.0 109.689 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -60.03 97.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.416 0.627 . . . . 0.0 110.433 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -96.69 116.29 28.88 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.019 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -60.03 -45.51 92.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.796 -175.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -66.8 -30.69 70.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.982 0.42 . . . . 0.0 111.033 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.98 -40.35 95.32 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.484 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.8 mm -62.02 -43.67 97.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.1 m -61.54 -41.51 97.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.439 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.24 -41.12 86.18 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 121.003 0.43 . . . . 0.0 111.186 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.0 -38.37 88.3 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.881 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.1 p . . . . . 0 C--O 1.24 0.587 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -177.457 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.8 129.49 38.71 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.659 176.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 m -112.13 155.49 13.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.022 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.701 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -99.54 117.0 44.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.452 HG22 ' HB3' ' A' ' 103' ' ' CYS . 47.1 t -101.56 122.04 53.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.581 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -134.63 157.8 45.68 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.557 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.49 0.27 21.9 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.068 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.57 ' HB2' HD11 ' A' ' 22' ' ' ILE . 38.8 p90 -105.84 171.47 7.32 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -140.66 160.82 39.2 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.475 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 34.1 tt0 -76.54 61.48 1.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.45 0.643 . . . . 0.0 110.475 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -158.49 9.19 0.14 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.711 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.57 HD11 ' HB2' ' A' ' 18' ' ' TYR . 30.0 pt -131.16 20.0 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.3 m -60.82 -44.41 96.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -59.95 -29.49 68.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.25 0.548 . . . . 0.0 110.169 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -89.24 -68.99 0.74 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -176.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.1 tt -64.82 -40.66 89.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.76 -34.39 77.73 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.854 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.97 -32.73 66.36 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.998 0.428 . . . . 0.0 111.263 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -90.74 -41.78 11.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.819 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -85.59 -7.39 58.88 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -175.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.9 -23.86 55.2 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.071 0.462 . . . . 0.0 110.847 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -59.6 -36.73 76.85 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.244 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -95.19 -50.63 4.97 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.055 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.23 150.07 7.92 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.069 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -70.52 137.25 50.02 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 122.757 0.423 . . . . 0.0 111.534 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.487 HD12 ' N ' ' A' ' 36' ' ' ILE . 3.6 mp -94.07 -40.57 11.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.909 -178.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 4.4 mp -121.72 168.12 12.17 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -69.13 -32.04 71.15 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.725 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.43 146.43 54.89 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.059 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tm? . . . . . 0 N--CA 1.44 -0.94 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -178.669 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.448 -0.552 0 CA-C-O 121.49 0.662 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 76' ' ' LYS . 14.4 tpp180 -135.52 139.01 43.64 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -74.03 136.17 43.1 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -149.12 170.45 18.39 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.432 -176.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.462 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -106.63 -158.64 21.69 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.819 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.6 ttp-105 -69.55 -44.7 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.912 0.387 . . . . 0.0 111.866 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.7 p -129.29 15.17 6.15 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.303 -175.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.462 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 60.1 p-90 -140.17 143.19 35.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.183 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.401 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 9.8 t -142.19 147.08 35.98 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.422 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 27.4 ttpp -100.15 118.92 37.48 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.403 HD11 HG13 ' A' ' 36' ' ' ILE . 68.0 mt -102.79 130.58 49.82 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.031 0.443 . . . . 0.0 111.225 -177.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.4 m -103.99 111.32 23.83 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -88.07 -18.78 28.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.754 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 68.31 -59.37 0.44 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.722 0.809 . . . . 0.0 112.139 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -82.7 140.27 33.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.974 0.416 . . . . 0.0 110.247 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -79.26 -25.18 42.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.635 -178.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.7 t -61.42 -41.5 97.27 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.801 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 p -81.93 -15.48 53.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.098 0.475 . . . . 0.0 111.371 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -62.33 -42.08 99.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.968 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.11 -43.92 98.15 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -67.23 -37.17 83.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.847 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.58 -12.91 57.38 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 31.9 tp -82.27 -6.41 59.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.864 0.364 . . . . 0.0 110.974 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 90' ' ' ARG . 27.1 ptt180 -53.43 102.08 0.05 Allowed 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -177.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -120.41 1.18 10.68 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.86 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -62.66 -38.02 88.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.315 -177.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.6 68.79 0.13 Allowed Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.4 m -111.53 92.05 3.89 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.095 0.474 . . . . 0.0 111.061 -177.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.456 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 88.7 mt -105.32 122.94 59.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.077 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -131.25 136.24 48.03 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 34.5 t 64.99 13.21 8.49 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.162 0.506 . . . . 0.0 111.466 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.83 7.39 56.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.1 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -142.69 145.51 33.47 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 117.267 0.534 . . . . 0.0 111.389 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -80.08 134.07 36.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.872 0.368 . . . . 0.0 110.682 177.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 29.5 pt -96.73 140.24 17.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.782 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -107.87 116.01 4.69 Favored Glycine 0 N--CA 1.437 -1.295 0 C-N-CA 120.109 -1.043 . . . . 0.0 112.126 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.452 ' HB3' HG22 ' A' ' 15' ' ' VAL . 5.2 p -121.57 100.8 7.22 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.265 0.555 . . . . 0.0 110.201 177.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.478 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 24.7 m -115.35 159.2 39.17 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.007 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.478 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 18.8 Cg_endo -58.83 151.56 63.71 Favored 'Trans proline' 0 C--O 1.242 0.715 0 C-N-CA 122.52 2.147 . . . . 0.0 111.642 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.409 ' CD1' ' HD3' ' A' ' 76' ' ' LYS . 87.9 t80 -61.06 120.62 10.62 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.585 0.707 . . . . 0.0 112.492 -176.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -125.83 132.27 52.26 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 174.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -66.7 -34.76 78.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.822 0.344 . . . . 0.0 111.192 -177.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -68.34 -34.81 76.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.153 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.53 ' O ' HD13 ' A' ' 114' ' ' LEU . 26.5 tp -62.12 -43.43 98.86 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.984 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.48 -42.2 92.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.863 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.7 t -61.22 -45.67 93.59 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.716 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -61.45 -47.27 86.49 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.641 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 110' ' ' LEU . 10.7 mp -62.51 -33.96 75.93 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 CA--C 1.548 0.866 0 CA-C-O 121.117 0.484 . . . . 0.0 110.363 177.764 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 . . . . . 0 C--O 1.242 0.686 0 CA-C-O 121.322 0.582 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.02 142.62 38.26 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.964 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.8 m -120.5 159.84 21.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.044 0.449 . . . . 0.0 111.429 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.7 t -110.63 115.23 49.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.9 t -112.79 129.77 67.81 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.349 -178.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -147.41 170.04 18.22 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.27 -30.58 4.71 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.861 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -99.34 -170.2 1.87 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.833 0.349 . . . . 0.0 111.453 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.716 ' O ' HG13 ' A' ' 22' ' ' ILE . 75.5 ttt180 -119.56 153.17 35.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.77 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.579 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -67.11 -30.3 70.28 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.052 -0.405 . . . . 0.0 112.009 -179.228 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.443 ' H ' ' HG2' ' A' ' 19' ' ' ARG . . . -61.17 -25.95 67.37 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.716 HG13 ' O ' ' A' ' 19' ' ' ARG . 2.8 pp -86.55 22.1 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -176.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.5 m -57.47 -45.58 84.65 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.356 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -58.74 -41.18 85.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.851 0.358 . . . . 0.0 111.363 -176.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -70.81 -60.98 1.94 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.93 -177.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.2 tt -65.76 -27.66 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.056 -174.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.0 tp -63.02 -35.46 80.31 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.391 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.62 -37.59 70.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.67 0.271 . . . . 0.0 111.323 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -90.85 -46.04 8.44 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -79.04 -5.77 54.78 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -176.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.8 -23.8 60.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.676 0.274 . . . . 0.0 111.265 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -66.04 -22.04 66.41 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.943 0.402 . . . . 0.0 110.274 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -89.99 -55.75 3.5 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.241 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.47 -134.57 4.11 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 119.388 -1.387 . . . . 0.0 114.723 177.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.443 ' O ' HD13 ' A' ' 36' ' ' ILE . 36.1 tt0 -67.43 123.75 21.27 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.665 1.186 . . . . 0.0 111.197 -176.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 35' ' ' GLU . 9.2 mm -134.45 145.51 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -178.121 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.579 ' CD1' ' HA ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER 50.77 -107.57 0.3 Allowed 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 177.41 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -169.31 -54.16 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.889 0.376 . . . . 0.0 111.506 -174.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.93 74.16 8.93 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.037 -179.204 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.235 0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 111.868 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -92.41 151.18 20.38 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.593 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.71 132.32 42.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.421 0.629 . . . . 0.0 111.014 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -106.48 125.15 50.64 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.534 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.76 -119.59 0.87 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.609 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -86.94 -82.98 0.2 Allowed 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 121.233 0.54 . . . . 0.0 110.639 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.4 p -114.85 9.86 16.32 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.234 -177.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -110.97 137.41 48.63 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.091 0.472 . . . . 0.0 111.057 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.9 m -130.5 129.76 43.32 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.96 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -96.27 114.15 25.81 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.36 -0.536 . . . . 0.0 109.571 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.1 mt -96.69 121.44 38.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.988 0.423 . . . . 0.0 110.397 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.2 m -111.72 112.0 23.39 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.737 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -108.13 -12.17 15.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.227 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 66.53 -1.19 1.33 Allowed 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.409 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -116.82 132.5 56.68 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.819 0.342 . . . . 0.0 110.107 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -64.87 -36.04 83.08 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.597 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.1 t -59.81 -50.27 74.47 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -67.01 -36.74 82.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.389 0.614 . . . . 0.0 110.328 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.441 ' OH ' ' HB3' ' A' ' 105' ' ' PRO . 19.5 t80 -58.66 -50.67 73.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.805 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.0 tp -67.84 -39.46 83.83 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.466 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.27 -20.72 64.8 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.019 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.33 -25.93 68.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.743 0.306 . . . . 0.0 111.74 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.445 ' HA ' ' HB2' ' A' ' 103' ' ' CYS . 11.1 mp -74.62 -5.3 42.19 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.886 0.474 . . . . 0.0 111.884 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -52.86 139.02 28.26 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 121.482 0.658 . . . . 0.0 112.281 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -79.66 1.38 26.51 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.792 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -69.23 -17.67 63.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.517 ' O ' HG22 ' A' ' 94' ' ' THR . . . -65.19 -43.93 94.68 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 173.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 93' ' ' GLY . 3.1 t 54.65 -165.04 0.1 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 170.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.517 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 91.9 mt -74.24 103.13 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.413 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.408 ' C ' ' H ' ' A' ' 98' ' ' GLY . 2.7 t80 -111.09 129.13 56.02 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.489 -178.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.5 t 71.46 -36.4 0.36 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.207 0.603 . . . . 0.0 111.883 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 96' ' ' TYR . . . 169.88 -17.08 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.886 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.5 153.68 50.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.083 0.442 . . . . 0.0 111.177 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -70.54 152.43 43.98 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.676 178.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.465 HG13 ' C ' ' A' ' 93' ' ' GLY . 1.3 mt -82.94 119.73 32.98 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.287 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.6 103.95 2.22 Favored Glycine 0 N--CA 1.438 -1.181 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.323 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 89' ' ' LEU . 14.2 m -109.03 110.22 21.44 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.6 m -113.3 158.16 39.07 Favored Pre-proline 0 C--N 1.31 -1.114 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.66 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.441 ' HB3' ' OH ' ' A' ' 85' ' ' TYR . 27.2 Cg_exo -62.46 150.87 85.93 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.467 2.111 . . . . 0.0 110.93 176.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -59.0 115.13 2.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.187 0.518 . . . . 0.0 110.986 -178.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.401 ' O ' HG12 ' A' ' 111' ' ' ILE . 99.5 mttt -120.04 117.52 28.23 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.177 178.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.6 -41.11 94.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.842 -177.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -63.33 -42.95 99.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.373 . . . . 0.0 110.398 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 62.2 tp -62.33 -42.7 99.6 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.001 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 107' ' ' LYS . 35.4 mm -62.46 -42.76 96.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.124 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.2 t -59.89 -48.84 80.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.001 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.34 -41.13 98.86 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.411 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 89.3 mt -63.54 -43.29 97.54 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.386 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 C--O 1.237 0.42 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.695 -179.712 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.55 130.94 36.53 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.134 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.9 m -130.93 160.76 41.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.301 -177.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.6 t -109.12 112.93 42.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.198 177.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.624 HG22 ' SG ' ' A' ' 103' ' ' CYS . 21.4 t -99.74 130.22 49.15 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.893 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -147.76 172.06 14.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.437 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.44 2.21 56.61 Favored Glycine 0 C--O 1.226 -0.363 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.008 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.768 ' HB2' HD11 ' A' ' 22' ' ' ILE . 54.5 p90 -117.41 157.89 25.41 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.621 ' O ' HG12 ' A' ' 22' ' ' ILE . 57.1 ttp180 -125.04 153.39 42.93 Favored 'General case' 0 C--N 1.309 -1.19 0 C-N-CA 120.516 -0.474 . . . . 0.0 109.762 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -49.93 -32.6 15.17 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.13 -25.39 63.82 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.768 HD11 ' HB2' ' A' ' 18' ' ' TYR . 28.7 pt -88.35 30.78 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 122.073 -0.392 . . . . 0.0 110.995 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -43.9 -73.5 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -174.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -61.05 -40.36 93.35 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -52.63 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.575 ' HB ' HD12 ' A' ' 22' ' ' ILE . 8.1 tt -73.24 -27.12 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.0 tp -61.8 -45.87 91.98 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 120.688 0.28 . . . . 0.0 110.632 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.13 -27.13 68.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.319 -0.401 . . . . 0.0 112.039 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -91.62 -49.13 6.46 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -90.83 -19.89 22.91 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -173.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.28 -12.07 47.89 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -63.96 -30.25 71.34 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.802 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -123.33 -12.79 7.77 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.05 116.9 0.63 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.943 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.28 119.81 18.03 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 120.966 0.412 . . . . 0.0 110.554 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 8.8 mt -107.68 164.39 5.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.735 -178.155 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.483 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 80.8 mt 71.82 -107.35 0.04 OUTLIER 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 123.19 0.596 . . . . 0.0 111.577 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 45.9 mt-10 -164.13 -67.77 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.038 0.935 . . . . 0.0 109.231 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.562 ' CG ' ' H ' ' A' ' 40' ' ' LEU . 17.5 t70 62.74 -169.82 0.18 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.426 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.562 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -173.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 CA--C 1.508 -0.647 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.17 149.82 41.63 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.234 -1.348 . . . . 0.0 109.075 177.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.19 151.94 38.43 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.545 0.688 . . . . 0.0 112.526 -176.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -128.13 143.86 51.08 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.001 -0.999 . . . . 0.0 108.85 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.55 134.67 8.38 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.07 -1.062 . . . . 0.0 111.892 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 51.32 -90.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.1 p -132.58 18.67 4.3 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.955 -177.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.405 ' CG ' HD13 ' A' ' 114' ' ' LEU . 59.0 p-90 -135.2 143.44 46.4 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.993 0.425 . . . . 0.0 112.013 -178.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 t -144.66 148.5 34.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.598 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 76' ' ' LYS . 2.2 ttpm? -107.06 104.19 13.79 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.577 ' H ' HD23 ' A' ' 77' ' ' LEU . 2.6 pt? -115.23 154.99 28.04 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.216 0.531 . . . . 0.0 111.476 -177.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.8 m -103.1 123.53 46.83 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.817 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -92.56 -3.67 54.69 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 68.12 -48.81 0.54 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.002 0.921 . . . . 0.0 113.022 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -96.06 142.27 28.46 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.021 0.438 . . . . 0.0 110.889 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.537 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 22.1 t60 -74.94 -25.35 58.82 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.847 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.7 m -60.44 -41.06 93.27 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.281 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.4 m -68.77 -24.23 64.41 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.952 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.537 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 88.8 t80 -59.18 -46.99 86.97 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.589 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.18 -42.36 88.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.807 0.337 . . . . 0.0 111.641 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 94.2 mtt180 -66.1 -40.91 91.12 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.22 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.2 -12.12 59.97 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.45 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.5 tp -63.73 -4.54 3.18 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.515 0.726 . . . . 0.0 111.864 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 87' ' ' ARG . 18.8 mmt180 -37.88 130.78 1.09 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.677 0.791 . . . . 0.0 111.838 178.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -136.4 -153.88 0.52 Allowed 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.301 -177.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -55.19 124.09 15.83 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.828 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.37 -26.74 5.97 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.6 m -92.59 91.09 7.4 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.474 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 98.9 mt -94.08 125.52 46.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.426 -178.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -129.09 126.42 39.32 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.823 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.0 t 66.95 9.98 7.29 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.048 0.539 . . . . 0.0 111.936 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.01 -9.49 21.0 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.28 -0.962 . . . . 0.0 113.589 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.38 153.14 51.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 117.068 0.434 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -89.2 129.52 35.77 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.818 0.342 . . . . 0.0 110.834 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 40.4 pt -89.26 142.29 13.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.909 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -120.82 123.89 5.7 Favored Glycine 0 N--CA 1.435 -1.408 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.552 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.624 ' SG ' HG22 ' A' ' 15' ' ' VAL . 49.6 t -130.18 125.78 35.82 Favored 'General case' 0 N--CA 1.433 -1.275 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.439 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 30.7 m -134.14 160.94 66.58 Favored Pre-proline 0 C--N 1.312 -1.024 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 18.9 Cg_endo -60.13 153.09 61.01 Favored 'Trans proline' 0 C--O 1.239 0.569 0 C-N-CA 122.439 2.093 . . . . 0.0 111.305 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -55.21 124.68 17.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.174 0.512 . . . . 0.0 111.959 -178.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -134.75 138.29 44.21 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.241 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -65.55 -41.45 92.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.621 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.85 -40.27 94.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.634 -177.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 58.0 tp -60.77 -46.42 90.54 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 120.805 0.336 . . . . 0.0 110.365 -179.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.8 mm -64.99 -43.25 96.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.641 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.0 m -61.1 -46.81 89.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.991 -178.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.2 -36.96 80.38 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.14 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 93.3 mt -63.55 -42.76 98.35 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.884 177.305 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.476 -179.165 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.734 0.302 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.91 129.92 34.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.938 0.399 . . . . 0.0 111.196 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -116.1 153.97 17.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.209 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.3 t -111.74 118.14 56.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.514 HG13 ' SG ' ' A' ' 103' ' ' CYS . 3.0 t -113.23 130.19 67.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -144.08 169.2 18.31 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.743 -178.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.59 19.52 12.1 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.867 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.613 ' HB2' HD11 ' A' ' 22' ' ' ILE . 16.3 p90 -135.88 158.48 44.31 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 122.304 0.242 . . . . 0.0 110.402 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.2 ttm-85 -102.29 158.31 16.28 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.559 ' HA ' HD21 ' A' ' 37' ' ' LEU . 33.4 tt0 -67.72 -4.34 11.95 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.091 0.556 . . . . 0.0 111.968 -175.158 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.65 -13.76 29.07 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.613 HD11 ' HB2' ' A' ' 18' ' ' TYR . 13.3 pt -99.42 30.98 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.811 -177.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 37' ' ' LEU . 6.9 m -60.34 -52.17 66.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -173.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -63.45 -40.88 98.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.125 0.488 . . . . 0.0 110.652 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -62.55 -56.91 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.719 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.2 tt -69.02 -30.71 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.94 -176.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 53.1 tp -62.33 -45.45 93.15 Favored 'General case' 0 C--O 1.206 -1.19 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.039 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -22.79 65.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.03 0.443 . . . . 0.0 111.54 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -86.78 -47.04 9.42 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.722 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -93.99 -4.93 48.75 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -48.39 -27.22 2.47 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 114.052 1.131 . . . . 0.0 114.052 -174.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -61.73 -30.75 70.98 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.098 0.475 . . . . 0.0 110.75 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -158.89 53.32 0.41 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.455 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.59 124.35 0.94 Allowed Glycine 0 C--N 1.337 0.586 0 C-N-CA 119.845 -1.169 . . . . 0.0 113.807 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -102.3 90.0 3.76 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.06 128.05 43.94 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.838 -171.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.612 ' HB2' HG23 ' A' ' 23' ' ' THR . 10.0 mp 64.67 -169.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.111 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -124.08 16.63 9.23 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -173.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -121.49 80.87 1.72 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.664 0.745 . . . . 0.0 110.67 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.4 mt . . . . . 0 C--N 1.305 -1.348 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.787 -175.895 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 CA--C 1.561 1.383 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -83.35 147.52 27.87 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 122.027 -0.421 . . . . 0.0 110.652 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -75.22 111.56 10.59 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 121.332 0.587 . . . . 0.0 110.154 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.492 ' HA ' ' CZ3' ' A' ' 74' ' ' TRP . 6.1 p-80 -148.78 167.64 25.06 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.114 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.09 -140.55 8.35 Favored Glycine 0 N--CA 1.435 -1.432 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -104.41 146.29 29.05 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 18' ' ' TYR . 30.5 p 72.19 -11.2 0.81 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 124.625 1.17 . . . . 0.0 113.184 -178.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.492 ' CZ3' ' HA ' ' A' ' 70' ' ' HIS . 60.3 p-90 -134.46 129.53 35.36 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.969 0.414 . . . . 0.0 111.037 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.522 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 53.0 m -135.67 134.79 39.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.253 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -93.59 128.47 39.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.666 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.6 mt -112.47 119.75 39.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.794 0.331 . . . . 0.0 111.72 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.0 m -114.37 126.32 54.86 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.833 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -113.89 -4.2 13.32 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.589 0.356 . . . . 0.0 110.298 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.22 -5.28 1.36 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.269 0.628 . . . . 0.0 112.003 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -129.03 142.51 50.89 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.745 0.307 . . . . 0.0 111.222 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.5 p-80 -73.92 -19.19 60.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.945 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.3 m -60.36 -43.88 96.11 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.158 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 t -79.06 -25.0 43.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -59.24 -48.66 80.8 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.454 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.2 tp -64.18 -42.53 96.64 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.359 -176.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -69.82 -36.75 75.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.25 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.15 -12.12 60.5 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.427 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.28 -39.83 88.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.652 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 56.75 -120.65 1.44 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.113 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 54.48 41.74 31.77 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 121.928 0.87 . . . . 0.0 110.341 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -120.8 44.59 2.45 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.13 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.67 38.93 50.01 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.415 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.8 m -83.49 98.5 9.57 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.251 0.548 . . . . 0.0 111.638 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 94.8 mt -109.16 125.53 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.527 178.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -132.67 131.71 41.6 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 93.5 m 63.81 20.99 12.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.003 0.43 . . . . 0.0 111.756 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.18 -5.89 61.39 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.706 -0.759 . . . . 0.0 114.031 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.2 152.81 52.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.459 0.63 . . . . 0.0 111.22 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.43 134.82 33.73 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.1 pt -91.83 150.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.744 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.61 128.29 9.52 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 120.172 -1.013 . . . . 0.0 111.77 -178.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.514 ' SG ' HG13 ' A' ' 15' ' ' VAL . 35.0 m -131.7 111.38 11.62 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.415 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 19.5 m -139.6 159.27 66.08 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.906 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.415 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 21.9 Cg_endo -61.83 150.45 85.98 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.658 2.239 . . . . 0.0 111.7 177.16 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.517 ' CE1' HG13 ' A' ' 111' ' ' ILE . 73.3 t80 -56.46 117.73 4.12 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.227 0.536 . . . . 0.0 111.753 -177.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.485 ' O ' HG12 ' A' ' 111' ' ' ILE . 64.3 mttp -114.84 137.05 52.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.506 177.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -65.03 -46.08 82.82 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.616 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -67.81 -37.55 82.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.215 -178.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 64.5 tp -61.01 -44.64 97.13 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.972 0.415 . . . . 0.0 110.151 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ILE . . . . . 0.517 HG13 ' CE1' ' A' ' 106' ' ' TYR . 46.6 mm -63.66 -38.59 82.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.583 177.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.3 t -58.26 -45.86 87.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.442 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -66.55 -42.64 86.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.075 0.464 . . . . 0.0 110.515 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 74' ' ' TRP . 93.3 mt -63.58 -41.02 98.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.931 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.0 t . . . . . 0 CA--C 1.534 0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.486 -178.483 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.555 HD21 ' N ' ' A' ' 11' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.237 0.429 0 CA-C-O 121.143 0.497 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.37 144.58 46.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.208 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.9 m -128.73 162.44 35.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.212 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.17 119.88 53.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.461 HG13 ' SG ' ' A' ' 103' ' ' CYS . 20.3 t -102.35 127.21 56.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -144.86 164.43 31.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.545 0.212 . . . . 0.0 111.462 -178.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.69 23.06 7.02 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.761 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.693 ' HB2' HD11 ' A' ' 22' ' ' ILE . 26.7 p90 -147.15 167.22 24.7 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 122.727 0.411 . . . . 0.0 110.287 -177.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -118.91 158.99 24.62 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.602 ' HA ' HD22 ' A' ' 37' ' ' LEU . 39.1 tt0 -78.08 46.35 0.59 Allowed 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.903 0.859 . . . . 0.0 111.108 -176.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.99 -7.75 3.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.502 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.693 HD11 ' HB2' ' A' ' 18' ' ' TYR . 30.8 pt -106.91 34.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.434 -177.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.483 HG21 ' HA ' ' A' ' 39' ' ' ASP . 23.2 m -50.94 -73.67 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.565 0 O-C-N 123.364 0.415 . . . . 0.0 112.039 -176.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -50.58 -34.88 27.47 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.277 0.631 . . . . 0.0 112.078 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.474 ' HB3' ' OH ' ' A' ' 96' ' ' TYR . 59.7 mt-30 -66.61 -71.59 0.19 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.962 -176.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.62 ' HB ' HD12 ' A' ' 22' ' ' ILE . 16.9 tt -70.37 -31.92 48.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -175.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.595 HD13 ' H ' ' A' ' 36' ' ' ILE . 45.9 tp -60.99 -37.29 81.96 Favored 'General case' 0 C--O 1.211 -0.974 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.735 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.42 -25.73 26.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -90.83 -46.35 8.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -94.94 -10.18 31.85 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -174.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.536 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -55.36 -34.58 64.41 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -173.045 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -64.59 -20.65 66.38 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 120.762 0.315 . . . . 0.0 111.226 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -120.49 -5.88 9.79 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.621 ' HA3' HD21 ' A' ' 77' ' ' LEU . . . 171.74 158.1 15.07 Favored Glycine 0 C--O 1.224 -0.527 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.592 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -100.82 143.03 31.47 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 122.626 -0.338 . . . . 0.0 111.041 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.623 HG22 ' HG ' ' A' ' 37' ' ' LEU . 62.4 mt -132.2 133.84 60.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.027 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.623 ' HG ' HG22 ' A' ' 36' ' ' ILE . 70.4 mt 72.98 -177.71 0.19 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.403 0.681 . . . . 0.0 112.806 177.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -81.51 93.48 6.68 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.948 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.483 ' HA ' HG21 ' A' ' 23' ' ' THR . 0.2 OUTLIER -88.67 171.4 10.04 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.076 177.551 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.319 -0.722 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 121.705 0.764 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -143.07 151.0 40.3 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.385 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HB3' ' HE2' ' A' ' 76' ' ' LYS . 43.7 tt0 -74.89 123.27 24.77 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.099 0.476 . . . . 0.0 110.509 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -139.65 155.8 47.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.043 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.08 -114.82 3.51 Favored Glycine 0 N--CA 1.44 -1.047 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 177.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -105.57 -72.25 0.72 Allowed 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 120.961 0.41 . . . . 0.0 111.018 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -105.09 11.44 33.26 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.145 -178.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -142.73 152.54 42.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.673 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.454 HG22 ' OH ' ' A' ' 18' ' ' TYR . 12.2 t -143.49 146.39 33.36 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 69' ' ' GLU . 36.8 ttpt -85.35 103.17 14.02 Favored 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 174.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.621 HD21 ' HA3' ' A' ' 34' ' ' GLY . 3.8 tt -95.55 121.45 37.25 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.423 0.63 . . . . 0.0 110.142 -173.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.415 ' N ' HD23 ' A' ' 77' ' ' LEU . 46.2 m -95.66 96.72 9.21 Favored 'General case' 0 N--CA 1.424 -1.736 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.721 178.249 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -72.36 -26.76 62.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.066 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 73.18 -53.51 0.7 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.261 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -73.25 138.86 45.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.059 0.457 . . . . 0.0 111.441 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -80.99 -22.22 39.65 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.393 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.1 p -61.37 -45.93 92.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.811 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.5 t -86.7 -11.94 49.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.85 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.22 -47.14 87.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.951 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.16 -40.28 94.1 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.672 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -65.08 -22.59 66.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.585 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.526 ' O ' ' HB2' ' A' ' 103' ' ' CYS . . . -64.55 -21.35 66.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.564 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.26 -6.71 51.19 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.726 -178.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.463 HH12 HG21 ' A' ' 94' ' ' THR . 8.0 ptm180 -46.56 124.02 5.54 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.234 0.54 . . . . 0.0 111.286 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -128.37 -6.01 5.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.499 -176.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -61.49 100.54 0.14 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -175.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 38.53 65.42 0.74 Allowed Glycine 0 N--CA 1.472 1.066 0 CA-C-N 115.114 -0.948 . . . . 0.0 114.688 175.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.551 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 23.3 m -116.79 90.12 3.26 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.89 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 93.4 mt -106.34 119.39 55.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.474 ' OH ' ' HB3' ' A' ' 25' ' ' GLN . 9.1 t80 -137.19 133.37 35.1 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -177.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.9 t 67.51 16.43 9.94 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.16 0.505 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.06 -17.03 35.48 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.929 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.36 159.26 42.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.523 0.662 . . . . 0.0 111.605 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -76.53 138.02 39.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.779 177.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.2 pt -97.25 139.76 19.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.208 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.27 144.14 14.86 Favored Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.404 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' CYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 88' ' ' ALA . 49.6 m -131.33 103.42 6.44 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -115.15 159.73 36.74 Favored Pre-proline 0 C--N 1.314 -0.94 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.2 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.45 147.41 91.47 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.432 2.088 . . . . 0.0 111.384 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -57.39 122.87 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.258 0.552 . . . . 0.0 111.903 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -128.3 132.74 48.65 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.914 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -66.05 -40.95 91.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.031 0.444 . . . . 0.0 110.183 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -62.66 -36.64 83.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.733 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.464 ' O ' HD13 ' A' ' 114' ' ' LEU . 49.8 tp -62.75 -44.14 96.98 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.283 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.1 mm -63.16 -45.7 97.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.215 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.0 m -61.3 -40.05 92.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.18 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.56 -50.66 70.44 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.881 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 110' ' ' LEU . 11.3 mp -63.49 -38.01 89.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.628 178.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.593 179.295 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.704 0.287 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 t -63.71 -42.01 98.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.763 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.6 mt -88.79 158.92 17.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.897 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.45 -173.29 16.36 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.185 -0.531 . . . . 0.0 111.923 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m 61.43 -161.51 0.29 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 122.715 0.406 . . . . 0.0 111.286 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -132.47 76.64 1.7 Allowed 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.074 0.464 . . . . 0.0 109.845 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 p -143.87 -164.78 1.96 Allowed 'General case' 0 N--CA 1.4 -2.965 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -121.01 -168.19 1.62 Allowed 'General case' 0 N--CA 1.412 -2.339 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -177.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.4 m -68.18 -45.42 73.48 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.97 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.9 -35.31 4.22 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.838 -0.619 . . . . 0.0 113.03 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -120.53 21.08 11.71 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.164 0.507 . . . . 0.0 111.646 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.12 140.14 37.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.976 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 m -123.45 159.74 27.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 120.926 0.393 . . . . 0.0 111.191 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.6 t -107.78 116.26 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 62.4 t -107.11 126.6 63.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.087 -178.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -139.36 159.11 42.93 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.961 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.91 34.58 5.39 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.617 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.493 ' HB2' HD11 ' A' ' 22' ' ' ILE . 55.5 p90 -132.45 162.85 30.12 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.534 ' O ' HG12 ' A' ' 22' ' ' ILE . 58.8 ttp180 -127.47 153.72 45.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.137 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 19.9 mp0 -68.77 4.73 1.33 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -177.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.41 0.7 45.85 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 120.657 0.265 . . . . 0.0 111.208 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 19' ' ' ARG . 19.8 pt -120.27 9.05 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -178.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.542 HG23 ' HB2' ' A' ' 37' ' ' LEU . 24.7 m -58.3 -46.82 85.39 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -173.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -61.22 -37.72 84.03 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.251 0.548 . . . . 0.0 109.74 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -78.95 -59.22 2.87 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.535 -176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.417 ' HB ' HD12 ' A' ' 22' ' ' ILE . 15.9 tt -66.55 -36.28 76.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -174.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.45 -37.3 86.78 Favored 'General case' 0 C--O 1.199 -1.583 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.655 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.09 -44.67 71.39 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.063 0.227 . . . . 0.0 111.505 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -64.34 -50.41 67.85 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.412 ' HB2' HD11 ' A' ' 36' ' ' ILE . 86.3 m-85 -81.37 -7.68 59.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.843 -175.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.553 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -58.52 -23.55 58.41 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.039 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.587 ' OE1' ' HB ' ' A' ' 49' ' ' THR . 60.9 tp60 -58.81 -30.28 67.51 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.479 0.657 . . . . 0.0 109.859 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -102.87 -45.78 4.88 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.558 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.553 ' O ' ' HA ' ' A' ' 31' ' ' ALA . . . -176.05 -163.14 28.18 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.13 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -110.31 156.39 20.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.767 0.283 . . . . 0.0 110.409 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.412 HD11 ' HB2' ' A' ' 30' ' ' PHE . 52.1 mt -114.75 -57.18 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -174.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.542 ' HB2' HG23 ' A' ' 23' ' ' THR . 5.5 mp -106.54 177.98 4.69 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.229 -0.188 . . . . 0.0 111.169 -178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 43.7 mt-10 -92.51 -19.86 21.54 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -174.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -88.73 98.83 11.91 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.38 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.2 tp -144.27 116.38 8.4 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-O 121.369 0.604 . . . . 0.0 110.805 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -118.8 127.32 53.42 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.074 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.1 p 49.59 94.37 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.564 0.746 . . . . 0.0 111.759 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.63 112.14 18.53 Favored 'General case' 0 N--CA 1.424 -1.758 0 CA-C-O 121.844 0.831 . . . . 0.0 110.947 -174.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 mt 58.94 85.25 0.1 Allowed 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 113.854 -1.521 . . . . 0.0 110.214 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.0 -40.94 97.65 Favored Glycine 0 C--N 1.333 0.411 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.708 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' A' ' 47' ' ' THR . 26.7 m-20 -125.18 157.29 36.81 Favored 'General case' 0 CA--C 1.492 -1.268 0 CA-C-O 120.599 0.238 . . . . 0.0 110.629 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.619 HG22 ' H ' ' A' ' 49' ' ' THR . 59.2 m 75.2 -48.25 0.62 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.732 177.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.604 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 47.6 mt-10 59.27 11.14 2.0 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 123.2 0.6 . . . . 0.0 110.732 -175.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.619 ' H ' HG22 ' A' ' 47' ' ' THR . 73.4 p 49.16 24.43 0.95 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.856 1.263 . . . . 0.0 113.518 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.0 ptt? 42.29 38.76 1.25 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 124.033 0.933 . . . . 0.0 112.029 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.604 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 19.7 ptt180 -70.55 162.75 28.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.348 -178.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.433 ' C ' ' H ' ' A' ' 54' ' ' GLY . 10.7 m 71.98 136.29 0.05 OUTLIER Pre-proline 0 CA--C 1.548 0.899 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.419 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -70.42 14.87 0.29 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.84 2.36 . . . . 0.0 112.43 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 52' ' ' THR . . . -130.98 14.55 5.45 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.529 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 72.78 -40.95 0.49 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.93 0.892 . . . . 0.0 111.839 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -127.11 155.74 42.84 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.215 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -90.87 123.6 34.52 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.681 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -99.98 104.11 15.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.997 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -158.7 144.05 16.39 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.91 135.41 19.3 Favored Pre-proline 0 C--N 1.31 -1.112 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.51 -14.0 40.9 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.206 2.604 . . . . 0.0 112.408 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -89.73 -2.01 58.15 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.849 0.357 . . . . 0.0 111.18 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -133.71 -167.96 2.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.608 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -63.0 139.69 58.8 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 38' ' ' GLU . 80.1 mmt-85 -65.66 -40.25 92.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.129 0.49 . . . . 0.0 109.833 -177.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.408 HG12 ' H ' ' A' ' 68' ' ' ARG . 15.3 tt -100.97 124.66 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.235 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.896 177.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.3 m -79.25 -12.84 59.95 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.504 -178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.408 ' H ' HG12 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -87.72 150.89 23.32 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.147 176.705 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -74.75 127.36 32.97 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.992 -177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -122.51 150.02 43.13 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.413 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.59 -156.53 16.66 Favored Glycine 0 N--CA 1.436 -1.343 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.589 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -69.06 -44.6 72.27 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.806 0.336 . . . . 0.0 111.494 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.4 p -133.33 13.45 4.18 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.446 ' CD1' ' HB3' ' A' ' 114' ' ' LEU . 69.2 p-90 -139.31 150.37 45.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.485 0.184 . . . . 0.0 111.156 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 t -143.46 146.57 33.54 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 120.739 0.304 . . . . 0.0 110.939 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -93.34 108.58 20.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.3 mt -100.3 117.25 34.12 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.205 0.526 . . . . 0.0 110.474 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.1 m -110.67 120.92 43.99 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.748 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.444 ' C ' ' H ' ' A' ' 81' ' ' ASN . 77.5 m-85 -109.03 -9.07 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.622 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.67 -23.78 0.15 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.387 0.675 . . . . 0.0 112.472 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.444 ' H ' ' C ' ' A' ' 79' ' ' TYR . 3.8 m-20 -107.17 137.43 45.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.929 0.395 . . . . 0.0 110.645 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -68.04 -32.27 72.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.33 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 m -61.11 -47.82 84.53 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.018 0.437 . . . . 0.0 110.672 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -66.99 -36.68 82.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.274 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -58.62 -51.07 71.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.978 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.8 tp -68.98 -41.74 77.47 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.715 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -65.67 -39.51 91.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.777 0.323 . . . . 0.0 111.669 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.19 -13.78 59.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.56 ' O ' ' HB2' ' A' ' 103' ' ' CYS . 37.1 tp -62.51 -43.33 99.07 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.399 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 49.35 -113.08 0.58 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.943 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 56.46 26.4 10.81 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-O 121.773 0.797 . . . . 0.0 111.461 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -115.32 46.28 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.609 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.35 35.85 7.81 Favored Glycine 0 CA--C 1.501 -0.799 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.644 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.3 m -91.32 105.21 17.62 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 121.032 0.444 . . . . 0.0 110.824 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 96.3 mt -109.48 122.96 64.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.227 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -122.81 125.51 45.59 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.089 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 92.6 m 61.18 22.94 13.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.963 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.47 -7.95 58.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.422 -0.894 . . . . 0.0 113.668 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.84 144.58 51.56 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 117.385 0.593 . . . . 0.0 111.121 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -77.65 130.32 36.69 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.263 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.4 pt -86.0 149.6 4.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.37 106.72 2.26 Favored Glycine 0 N--CA 1.433 -1.565 0 C-N-CA 120.306 -0.949 . . . . 0.0 112.959 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.56 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 58.5 m -110.4 104.73 13.54 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 175.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.3 m -117.6 162.2 29.93 Favored Pre-proline 0 C--N 1.305 -1.358 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.348 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -64.72 152.98 79.98 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.541 2.161 . . . . 0.0 110.576 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -62.29 124.13 20.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.119 0.485 . . . . 0.0 111.542 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.509 ' O ' HG12 ' A' ' 111' ' ' ILE . 99.3 mttt -131.5 128.58 39.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.119 177.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -66.46 -42.98 86.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.58 0.229 . . . . 0.0 111.562 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.18 -35.01 79.73 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.075 0.464 . . . . 0.0 110.601 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 51.1 tp -62.48 -40.4 96.55 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.095 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 107' ' ' LYS . 45.1 mm -60.99 -43.59 96.4 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.155 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.61 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 47.4 m -60.04 -42.12 93.77 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.48 177.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.53 -43.42 85.23 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.208 0.527 . . . . 0.0 110.542 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 82.5 mt -63.15 -39.96 96.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.585 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.7 p -71.53 -17.39 62.32 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.61 ' HG3' ' O ' ' A' ' 112' ' ' SER . 84.1 mtp180 -73.07 -50.6 21.98 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.859 0.361 . . . . 0.0 110.618 178.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -77.28 -41.08 42.23 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 121.887 0.851 . . . . 0.0 109.641 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -101.9 59.41 0.59 Allowed Glycine 0 C--N 1.295 -1.731 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.157 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -62.29 124.85 21.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.351 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -133.06 -37.76 0.98 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.668 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -144.93 157.99 43.96 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.704 0.288 . . . . 0.0 110.543 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.417 ' O ' ' HB3' ' A' ' 123' ' ' HIS . 66.8 m80 -83.04 143.91 30.28 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 175.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.417 ' HB3' ' O ' ' A' ' 122' ' ' HIS . 54.6 t-80 74.54 -37.35 0.35 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.062 0.545 . . . . 0.0 111.725 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 64.3 m80 . . . . . 0 C--N 1.32 -0.701 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.135 179.617 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.5 mtt . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 p -76.03 143.04 41.66 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.885 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 mp -88.77 85.47 6.78 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.989 0.423 . . . . 0.0 110.362 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.88 115.25 4.89 Favored Glycine 0 N--CA 1.437 -1.296 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.352 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 p -134.39 141.92 47.0 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 120.925 0.393 . . . . 0.0 110.657 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -95.17 -5.04 44.9 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.429 0.633 . . . . 0.0 109.792 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.6 p -67.99 -39.45 83.25 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.904 -1.043 . . . . 0.0 111.7 -177.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -102.18 59.83 0.83 Allowed 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.287 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p 48.39 76.2 0.12 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 114.815 -1.084 . . . . 0.0 113.347 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.99 9.85 72.92 Favored Glycine 0 C--O 1.224 -0.516 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -106.28 13.26 29.01 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.2 0.524 . . . . 0.0 110.418 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.35 142.67 51.38 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.594 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -123.36 157.34 29.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 120.944 0.402 . . . . 0.0 111.322 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 103' ' ' CYS . 48.9 t -111.56 114.86 48.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.9 t -115.73 130.46 70.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 120.949 0.404 . . . . 0.0 110.219 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -144.56 156.2 44.03 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.76 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.71 -21.74 4.43 Favored Glycine 0 C--N 1.32 -0.323 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.474 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -99.73 150.8 21.93 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.933 0.397 . . . . 0.0 110.779 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -74.21 -83.3 0.05 Allowed 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -174.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 179.85 -52.56 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.451 0.643 . . . . 0.0 109.476 -174.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 0.37 3.78 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.699 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.408 HD12 ' HB ' ' A' ' 26' ' ' ILE . 1.6 pt -88.2 17.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.559 0.218 . . . . 0.0 110.799 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.523 HG21 ' HB3' ' A' ' 39' ' ' ASP . 35.8 m -45.11 -71.59 0.07 Allowed 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -176.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.16 -37.46 74.73 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -173.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.496 ' HG2' ' OH ' ' A' ' 96' ' ' TYR . 42.4 tt0 -61.93 -65.82 0.63 Allowed 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.72 -177.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.408 ' HB ' HD12 ' A' ' 22' ' ' ILE . 8.2 tt -70.03 -26.97 30.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 120.962 0.41 . . . . 0.0 111.793 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 23' ' ' THR . 36.5 tp -62.7 -37.51 86.76 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.441 -177.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.92 -34.84 57.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.841 0.353 . . . . 0.0 111.916 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -93.23 -44.0 8.55 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -85.85 -11.53 53.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.51 -19.75 63.72 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 118.125 0.42 . . . . 0.0 110.81 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -67.74 -27.59 66.92 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.164 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.49 ' HB3' ' CE1' ' A' ' 79' ' ' TYR . 89.8 m-85 -88.09 -51.36 5.83 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.603 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.561 ' HA2' ' O ' ' A' ' 51' ' ' ARG . . . 177.23 -167.61 38.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.411 -0.9 . . . . 0.0 112.885 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.595 ' OE1' HG13 ' A' ' 66' ' ' ILE . 42.8 tt0 -82.83 116.91 22.36 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.05 0.452 . . . . 0.0 110.173 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.472 ' O ' HG21 ' A' ' 75' ' ' THR . 38.1 mm -92.97 -53.34 8.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.541 -177.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.43 -172.91 3.62 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.857 -178.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.552 ' OE1' ' HA ' ' A' ' 65' ' ' ARG . 45.0 mt-10 -90.06 -138.85 0.14 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.868 -176.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.523 ' HB3' HG21 ' A' ' 23' ' ' THR . 10.0 t70 71.19 -75.26 0.08 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.3 0.64 . . . . 0.0 110.757 -176.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.2 mt 38.34 88.63 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.876 1.27 . . . . 0.0 114.251 177.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -114.22 -74.73 0.61 Allowed 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.461 175.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 p -76.09 -50.95 13.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.381 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' CD ' HH12 ' A' ' 51' ' ' ARG . 8.6 pt-20 42.31 82.47 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.128 1.159 . . . . 0.0 114.128 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 44' ' ' LEU . 5.9 mp 56.71 -172.8 0.08 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.79 0.836 . . . . 0.0 112.536 177.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.5 123.09 2.41 Favored Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.824 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 70.99 -31.8 0.23 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.007 0.923 . . . . 0.0 112.875 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.2 m -81.43 64.23 6.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.903 0.859 . . . . 0.0 109.879 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . 41.7 tt0 -100.43 -28.45 12.92 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.061 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.0 p -75.51 139.32 42.11 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.067 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.5 ttp 64.39 74.7 0.4 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.293 0.568 . . . . 0.0 111.384 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.561 ' O ' ' HA2' ' A' ' 34' ' ' GLY . 78.6 mtp180 -126.76 3.72 6.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.085 178.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 p -155.92 115.81 2.21 Favored Pre-proline 0 C--N 1.314 -0.962 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.521 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.402 ' HG2' ' O ' ' A' ' 79' ' ' TYR . 90.6 Cg_endo -83.8 16.26 1.95 Allowed 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.788 2.325 . . . . 0.0 112.207 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.43 -109.71 0.45 Allowed Glycine 0 N--CA 1.44 -1.067 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.752 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -79.77 128.6 33.62 Favored 'General case' 0 N--CA 1.425 -1.699 0 C-N-CA 122.772 0.429 . . . . 0.0 110.086 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -77.32 143.48 38.77 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.119 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -77.46 -35.1 54.21 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 69.56 122.4 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.422 0.689 . . . . 0.0 112.136 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -82.34 85.78 6.82 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.985 0.421 . . . . 0.0 110.044 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -112.88 114.35 49.26 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.87 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -61.95 136.79 63.4 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.586 2.191 . . . . 0.0 111.212 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 54.24 84.82 0.06 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.29 0.567 . . . . 0.0 111.755 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -119.61 175.66 5.75 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.076 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.673 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -61.58 -54.17 46.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.204 178.757 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.673 ' HG3' ' O ' ' A' ' 64' ' ' ARG . 70.3 mtt-85 -178.63 -173.44 0.32 Allowed 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 126.099 1.759 . . . . 0.0 109.646 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.595 HG13 ' OE1' ' A' ' 35' ' ' GLU . 4.3 tt -52.25 150.07 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 O-C-N 124.089 0.868 . . . . 0.0 110.246 175.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 t -77.08 20.51 0.26 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.141 0.496 . . . . 0.0 111.525 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' H ' HG12 ' A' ' 66' ' ' ILE . 16.7 tpp180 -143.36 158.17 43.86 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -73.02 111.2 7.91 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.81 0.814 . . . . 0.0 111.47 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -129.31 128.27 42.83 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.016 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.47 -119.85 3.48 Favored Glycine 0 N--CA 1.433 -1.543 0 C-N-CA 120.427 -0.892 . . . . 0.0 110.968 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -91.48 -76.35 0.45 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 120.892 0.377 . . . . 0.0 109.993 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 p -107.6 3.01 24.38 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.13 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -113.08 135.92 53.27 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.509 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.472 HG21 ' O ' ' A' ' 36' ' ' ILE . 39.2 m -135.23 129.3 33.45 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.025 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -84.59 126.95 33.79 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 173.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.431 HD13 ' OH ' ' A' ' 79' ' ' TYR . 96.1 mt -112.89 115.55 28.62 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.223 0.535 . . . . 0.0 110.974 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 87.9 m -110.34 114.06 27.22 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.624 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 33' ' ' PHE . 92.9 m-85 -108.45 -1.52 19.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.91 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.71 -41.37 0.48 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.574 0.749 . . . . 0.0 112.396 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -86.36 140.75 29.74 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 120.966 0.413 . . . . 0.0 110.705 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.521 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 33.9 t-80 -84.59 -19.88 32.34 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.006 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.4 m -61.44 -40.2 93.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.703 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 p -80.14 -12.0 59.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.555 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.521 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 67.1 t80 -60.3 -46.72 88.88 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.042 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.98 -42.77 99.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.279 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.51 -40.01 81.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.184 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.51 -13.63 59.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.942 0.401 . . . . 0.0 111.466 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.588 ' HA ' ' SG ' ' A' ' 103' ' ' CYS . 39.8 tp -83.04 -6.56 59.54 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.173 -178.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -59.39 125.44 23.65 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.507 0.67 . . . . 0.0 112.474 -175.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -138.69 6.44 2.47 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.198 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -75.77 95.76 3.52 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.472 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 68.13 26.5 74.06 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.472 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.0 m -93.26 99.54 12.07 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.006 0.432 . . . . 0.0 111.325 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 96.8 mt -116.01 126.61 73.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.016 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.496 ' OH ' ' HG2' ' A' ' 25' ' ' GLN . 12.0 t80 -139.03 134.31 32.83 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.897 -178.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.4 t 69.2 12.45 8.46 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.114 0.483 . . . . 0.0 111.299 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.72 -0.93 52.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.094 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.82 156.13 48.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.961 0.381 . . . . 0.0 111.1 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -88.78 129.92 35.46 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.248 178.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 30.4 pt -84.93 132.87 30.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 120.999 0.428 . . . . 0.0 110.161 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.26 131.92 10.76 Favored Glycine 0 CA--C 1.496 -1.134 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.346 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.588 ' SG ' ' HA ' ' A' ' 89' ' ' LEU . 42.4 t -131.21 124.22 30.13 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.068 0.461 . . . . 0.0 110.315 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.7 m -132.5 161.57 62.44 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.308 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.37 154.42 73.69 Favored 'Trans proline' 0 C--O 1.24 0.58 0 C-N-CA 122.646 2.23 . . . . 0.0 111.595 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -59.26 106.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.184 0.516 . . . . 0.0 110.801 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.553 ' O ' HG12 ' A' ' 111' ' ' ILE . 57.8 mtmt -116.0 126.5 53.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.108 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -56.91 -41.3 77.9 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -177.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.19 -44.45 95.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.914 0.387 . . . . 0.0 110.869 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.554 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 59.8 tp -62.86 -43.28 99.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.564 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 107' ' ' LYS . 46.2 mm -62.31 -42.94 97.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.243 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 t -60.73 -45.03 95.83 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.318 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -64.82 -41.01 96.1 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.046 0.451 . . . . 0.0 110.924 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 88.8 mt -64.55 -38.53 91.33 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.251 0.548 . . . . 0.0 110.903 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 41.3 m -79.06 -2.58 41.11 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.345 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -58.33 -44.17 88.57 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.82 0.343 . . . . 0.0 111.379 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -100.26 16.58 23.84 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.2 0.524 . . . . 0.0 110.425 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.86 -12.54 81.16 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.064 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -152.27 154.26 35.37 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -141.77 166.5 24.56 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.168 0.293 . . . . 0.0 111.157 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 83.5 t60 71.73 -46.8 0.65 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.926 0.89 . . . . 0.0 111.816 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -61.94 126.43 27.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.997 0.427 . . . . 0.0 110.55 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -124.85 -167.02 1.61 Allowed 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 75.6 m80 . . . . . 0 C--N 1.318 -0.8 0 CA-C-O 118.723 -0.656 . . . . 0.0 109.92 -179.834 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m 58.27 53.64 6.33 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 123.616 0.572 . . . . 0.0 111.339 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 62.91 -176.1 0.15 Allowed 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.618 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.12 45.68 5.56 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.108 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -63.12 -36.26 83.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.907 0.384 . . . . 0.0 111.111 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 60.6 33.81 20.32 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 123.581 0.752 . . . . 0.0 111.391 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 p -70.75 -61.33 1.81 Allowed 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 110.741 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 51.74 86.05 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.547 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.5 t -81.47 -18.62 44.58 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.135 0.493 . . . . 0.0 110.278 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.9 -148.32 22.44 Favored Glycine 0 N--CA 1.44 -1.091 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.839 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -96.27 22.18 8.06 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.985 0.421 . . . . 0.0 111.172 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.77 129.41 35.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.627 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.5 m -129.87 164.97 31.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.803 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.3 t -116.48 126.97 74.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.628 HG22 ' SG ' ' A' ' 103' ' ' CYS . 22.6 t -114.25 131.2 66.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -143.03 164.83 29.02 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.029 0.442 . . . . 0.0 111.868 -177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.77 -6.89 20.02 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.697 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.458 ' HB2' HG12 ' A' ' 22' ' ' ILE . 38.2 p90 -122.23 175.69 6.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.796 0.331 . . . . 0.0 111.154 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -136.27 164.87 27.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.381 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.492 ' HA ' HD23 ' A' ' 37' ' ' LEU . 16.9 tp10 -69.32 85.46 0.4 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.411 0.624 . . . . 0.0 109.438 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.47 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.02 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.458 HG12 ' HB2' ' A' ' 18' ' ' TYR . 2.8 pp -87.51 12.09 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.497 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.548 HG23 ' HB2' ' A' ' 37' ' ' LEU . 7.2 m -45.04 -72.88 0.05 OUTLIER 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 114.094 -1.412 . . . . 0.0 113.845 -173.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -61.17 -35.46 77.17 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 120.737 0.304 . . . . 0.0 111.563 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -61.24 -58.17 9.37 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.359 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.509 HG23 HG12 ' A' ' 36' ' ' ILE . 8.6 tt -69.95 -26.37 29.92 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 CA-C-O 121.203 0.525 . . . . 0.0 110.627 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 23' ' ' THR . 8.9 tt -60.95 -41.17 95.79 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.047 -178.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.86 -25.01 55.7 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -91.69 -49.18 6.42 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -89.94 -8.68 51.18 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -174.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.14 -3.94 12.14 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -55.29 -40.0 70.53 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -106.68 -9.96 16.31 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.007 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.434 ' HA3' ' HA ' ' A' ' 51' ' ' ARG . . . 84.15 166.86 41.49 Favored Glycine 0 C--O 1.224 -0.492 0 CA-C-N 115.736 -0.665 . . . . 0.0 114.457 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' HG3' HG13 ' A' ' 66' ' ' ILE . 41.6 tt0 66.45 112.66 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.068 0.947 . . . . 0.0 112.496 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.574 HG13 HD12 ' A' ' 37' ' ' LEU . 8.3 tp -145.65 -47.86 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 121.013 0.435 . . . . 0.0 111.332 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.574 HD12 HG13 ' A' ' 36' ' ' ILE . 6.7 mp -144.38 -169.87 3.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -178.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.472 ' O ' ' HD3' ' A' ' 65' ' ' ARG . 45.7 mt-10 -81.51 -47.99 12.41 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' HB3' HG21 ' A' ' 23' ' ' THR . 13.6 t70 -72.47 115.27 11.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.549 0.69 . . . . 0.0 110.661 -175.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.72 104.59 3.75 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.019 -171.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -176.54 123.14 0.16 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.54 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.7 m 57.73 83.8 0.11 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 177.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -135.37 -66.28 0.58 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.767 0.317 . . . . 0.0 110.697 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp -111.99 134.06 53.78 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.95 -17.37 59.65 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.576 ' O ' HG22 ' A' ' 47' ' ' THR . 29.9 t70 -109.85 155.2 21.98 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 46' ' ' ASP . 1.4 t 59.69 15.81 5.0 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.28 1.032 . . . . 0.0 112.23 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.461 ' OE2' ' HD2' ' A' ' 51' ' ' ARG . 2.5 tm-20 -66.97 -34.4 77.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.694 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 t -81.15 -2.26 47.79 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.6 mmm -94.97 -3.06 49.21 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.941 0.4 . . . . 0.0 110.633 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HD2' ' OE2' ' A' ' 48' ' ' GLU . 95.9 mtt180 -70.28 104.66 2.73 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.905 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 m 59.85 81.25 0.25 Allowed Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.961 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.47 106.95 0.64 Allowed 'Trans proline' 0 C--N 1.323 -0.773 0 C-N-CA 123.471 2.78 . . . . 0.0 111.831 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.75 -61.53 0.66 Allowed Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.805 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -126.83 100.77 6.31 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.911 0.386 . . . . 0.0 110.648 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -71.95 151.93 42.91 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.29 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -72.48 146.54 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.983 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.423 ' CD ' ' HG3' ' A' ' 63' ' ' ARG . 53.5 tt0 -112.94 117.46 32.14 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -81.86 82.86 7.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.365 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.11 147.0 24.94 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.371 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.3 -20.23 61.99 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.751 2.301 . . . . 0.0 112.353 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -92.41 3.64 55.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.411 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.423 ' HG3' ' CD ' ' A' ' 58' ' ' GLN . 39.1 mmt180 -128.37 173.24 10.36 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.755 0.788 . . . . 0.0 112.199 -178.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -98.42 141.02 31.81 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.483 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' A' ' 38' ' ' GLU . 99.8 mtt180 -66.43 -38.06 86.56 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.618 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.475 HG13 ' HG3' ' A' ' 35' ' ' GLU . 5.1 tt -115.66 132.83 63.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.764 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.0 t -65.48 -43.08 91.36 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.373 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 76' ' ' LYS . 5.7 tpm_? -82.46 154.68 25.0 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.682 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -74.53 145.05 43.78 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.009 0.433 . . . . 0.0 110.767 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -134.14 161.24 35.42 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.104 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.555 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -110.28 -118.4 3.94 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.301 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -111.64 -73.17 0.68 Allowed 'General case' 0 CA--C 1.502 -0.872 0 CA-C-O 120.834 0.349 . . . . 0.0 110.723 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 p -102.44 13.15 35.3 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.11 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.555 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 38.4 p-90 -137.32 140.66 41.65 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.518 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.4 m -130.11 129.02 43.0 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.301 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.501 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 87.0 tttt -86.45 131.06 34.28 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 176.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.6 mt -126.59 134.94 50.68 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.72 0.295 . . . . 0.0 111.654 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 83.1 m -112.22 100.28 8.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.996 0.427 . . . . 0.0 110.492 176.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.472 ' HB3' ' OG ' ' A' ' 84' ' ' SER . 96.3 m-85 -78.67 -24.4 45.15 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.618 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.8 -34.51 0.3 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.75 0.82 . . . . 0.0 112.842 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -100.79 141.27 33.91 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.639 0.257 . . . . 0.0 110.745 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -66.09 -35.49 80.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.337 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 m -58.13 -45.95 86.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.138 0.494 . . . . 0.0 110.213 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.472 ' OG ' ' HB3' ' A' ' 79' ' ' TYR . 4.1 p -74.66 -32.05 62.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.561 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -59.74 -49.34 78.1 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.641 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.6 tp -70.44 -27.05 63.95 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.6 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.655 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 93.4 mtt180 -76.3 -14.15 60.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.609 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 103' ' ' CYS . . . -75.4 -13.3 60.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.011 0.434 . . . . 0.0 111.302 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.89 -4.28 27.25 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 123.377 0.671 . . . . 0.0 112.748 -176.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 87' ' ' ARG . 31.2 mmm180 -47.65 89.66 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -176.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -158.84 88.72 0.91 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.773 0.797 . . . . 0.0 109.312 174.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -136.36 30.69 2.93 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.99 38.37 2.52 Favored Glycine 0 N--CA 1.434 -1.441 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -174.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.723 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 4.1 m -84.07 81.24 8.88 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-O 121.126 0.489 . . . . 0.0 111.633 -175.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.515 HD13 ' N ' ' A' ' 100' ' ' ALA . 3.2 mm -85.49 116.7 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.547 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -128.87 127.51 41.98 Favored 'General case' 0 N--CA 1.432 -1.352 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 16.1 t 64.32 13.92 8.36 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.032 0.444 . . . . 0.0 111.131 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.24 -17.4 16.86 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.858 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.44 153.66 51.8 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 117.74 0.77 . . . . 0.0 112.533 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.723 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -82.42 140.85 33.2 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.495 -179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 38.0 pt -102.92 126.15 57.2 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.61 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -116.11 131.98 9.92 Favored Glycine 0 N--CA 1.437 -1.253 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.358 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.628 ' SG ' HG22 ' A' ' 15' ' ' VAL . 48.1 t -131.06 134.4 46.6 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 120.952 0.406 . . . . 0.0 110.751 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.0 m -137.72 166.65 24.76 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.098 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.12 150.78 85.37 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.199 1.933 . . . . 0.0 110.818 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -54.45 110.66 0.66 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.286 0.565 . . . . 0.0 111.455 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.477 ' O ' HG12 ' A' ' 111' ' ' ILE . 71.7 mmtt -110.94 125.93 54.21 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.362 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -64.47 -41.03 96.73 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.262 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.84 -39.33 93.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.171 0.51 . . . . 0.0 109.914 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.21 -41.69 98.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.607 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 107' ' ' LYS . 36.7 mm -62.28 -43.34 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.234 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.4 m -59.93 -44.02 94.59 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.171 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -62.57 -45.78 91.36 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.098 0.475 . . . . 0.0 110.815 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.503 HD13 ' CG ' ' A' ' 74' ' ' TRP . 96.9 mt -64.85 -40.67 95.52 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.841 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.7 t -63.02 -42.62 99.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.28 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -69.52 -10.79 59.58 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.402 -0.519 . . . . 0.0 112.015 -177.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.53 -8.79 54.0 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.366 0.603 . . . . 0.0 110.903 175.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -72.68 -27.76 68.59 Favored Glycine 0 N--CA 1.437 -1.298 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 173.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 57.22 29.16 16.23 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.796 0.839 . . . . 0.0 112.001 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -99.24 -11.23 21.48 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.967 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 72.61 137.41 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.849 0.859 . . . . 0.0 110.628 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -82.08 -65.59 0.99 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 63.68 -82.3 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.297 0.639 . . . . 0.0 111.533 -176.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 . . . . . 0 C--N 1.318 -0.795 0 CA-C-O 118.677 -0.678 . . . . 0.0 109.477 -179.295 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.478 0.928 0 CA-C-O 120.539 0.209 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m 64.72 16.03 10.14 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.379 0.671 . . . . 0.0 112.311 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.4 mt -70.5 -38.16 74.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.803 0.335 . . . . 0.0 110.987 178.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.55 -154.61 6.19 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.411 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -83.78 157.56 22.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.71 0.291 . . . . 0.0 110.413 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -64.9 -29.68 70.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.364 0.602 . . . . 0.0 110.675 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.9 m 67.73 25.45 8.06 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.897 -1.047 . . . . 0.0 113.013 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -88.89 87.1 7.11 Favored 'General case' 0 N--CA 1.418 -2.07 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.2 p -61.09 -46.92 88.67 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 115.049 -0.978 . . . . 0.0 112.045 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.24 -31.29 1.36 Allowed Glycine 0 CA--C 1.522 0.508 0 C-N-CA 121.188 -0.529 . . . . 0.0 113.207 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -89.04 10.54 21.28 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.29 0.567 . . . . 0.0 110.703 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.89 141.74 51.18 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.229 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.425 HG13 ' CE1' ' A' ' 85' ' ' TYR . 29.7 m -118.54 156.54 20.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-O 121.028 0.442 . . . . 0.0 110.951 -178.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.6 t -106.59 119.85 56.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.47 HG22 ' SG ' ' A' ' 103' ' ' CYS . 57.2 t -100.34 121.47 51.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -141.88 164.84 29.11 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.982 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.17 -17.62 7.98 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.136 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -96.01 171.9 8.34 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 110.537 -0.171 . . . . 0.0 110.537 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -90.0 -83.14 0.25 Allowed 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -178.32 -42.25 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.132 0.491 . . . . 0.0 110.115 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.08 24.51 3.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -176.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 pp -109.62 8.36 8.96 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.341 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 m -57.97 -46.03 85.8 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.252 -174.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HE2' ' OD2' ' A' ' 39' ' ' ASP . 70.5 mmtt -48.97 -36.53 17.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 122.715 0.406 . . . . 0.0 111.611 -177.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.3 mp0 -80.5 -60.98 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.6 tt -66.53 -29.09 45.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -174.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.611 HD21 ' HG2' ' A' ' 43' ' ' GLU . 51.3 tp -60.91 -43.52 98.45 Favored 'General case' 0 C--O 1.21 -0.99 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -176.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.15 -22.83 43.04 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -86.98 -48.05 8.44 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -92.1 -8.63 45.2 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -175.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.522 ' O ' ' HD3' ' A' ' 51' ' ' ARG . . . -64.97 -14.41 60.14 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 120.813 0.34 . . . . 0.0 111.281 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.22 -25.32 65.15 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.174 0.511 . . . . 0.0 110.001 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -109.88 -44.24 3.85 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.379 -176.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -158.65 -162.3 11.78 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 119.826 -1.178 . . . . 0.0 113.532 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' CD ' HH21 ' A' ' 68' ' ' ARG . 0.0 OUTLIER -111.23 136.71 49.93 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.931 0.492 . . . . 0.0 111.588 -178.255 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.731 HG22 HD12 ' A' ' 37' ' ' LEU . 59.2 mt -132.56 132.24 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.731 HD12 HG22 ' A' ' 36' ' ' ILE . 1.5 mp 69.14 -178.93 0.22 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.194 0.597 . . . . 0.0 111.37 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.602 ' HB3' ' NH2' ' A' ' 65' ' ' ARG . 36.6 mt-10 -103.55 -41.43 5.98 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.471 ' OD2' ' HE2' ' A' ' 24' ' ' LYS . 38.9 t70 -78.53 96.44 5.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.079 0.466 . . . . 0.0 110.165 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.8 mt -100.88 -104.5 0.24 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.25 -174.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' HA ' ' OE1' ' A' ' 41' ' ' GLU . 5.2 mm-40 66.26 147.56 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.2 p 46.42 49.8 12.97 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.167 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.611 ' HG2' HD21 ' A' ' 27' ' ' LEU . 37.7 mt-10 -77.76 -82.64 0.09 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.544 -176.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.0 mt -124.3 -177.06 3.67 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.737 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.2 -87.45 1.66 Allowed Glycine 0 N--CA 1.44 -1.039 0 C-N-CA 120.163 -1.017 . . . . 0.0 111.097 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -124.2 11.31 8.78 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.352 0.596 . . . . 0.0 110.346 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.9 p -94.7 10.34 35.37 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.754 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.616 ' HG3' ' HE ' ' A' ' 51' ' ' ARG . 38.6 tt0 -60.33 -23.19 64.04 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.661 178.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.2 p -63.7 -25.22 68.1 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.042 0.449 . . . . 0.0 110.781 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.4 tpt -65.57 -37.24 86.11 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.01 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.616 ' HE ' ' HG3' ' A' ' 48' ' ' GLU . 37.2 ptt180 -88.77 159.24 17.86 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.105 -178.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.462 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 70.1 p 57.35 125.18 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.894 1.278 . . . . 0.0 114.177 176.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 52' ' ' THR . 39.4 Cg_exo -62.93 -18.3 64.29 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.781 2.321 . . . . 0.0 112.076 178.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -139.28 80.96 0.27 Allowed Glycine 0 C--N 1.302 -1.323 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.895 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -79.24 71.95 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.713 0.768 . . . . 0.0 111.668 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -76.48 -47.88 21.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.87 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -63.3 -45.83 89.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 54.34 79.34 0.14 Allowed 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.459 0.475 . . . . 0.0 111.149 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 99.6 mt-30 40.57 79.69 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.692 0.797 . . . . 0.0 112.468 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.85 87.0 17.22 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.036 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.8 -17.94 41.88 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.799 2.333 . . . . 0.0 112.976 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -97.29 7.91 45.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.904 0.383 . . . . 0.0 111.215 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -132.91 -157.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.264 0.555 . . . . 0.0 111.451 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.402 ' H ' ' HG3' ' A' ' 64' ' ' ARG . 33.6 mtt-85 -71.97 128.69 36.52 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.302 -177.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.602 ' NH2' ' HB3' ' A' ' 38' ' ' GLU . 1.3 mpp_? -87.0 -63.62 1.28 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.1 0.476 . . . . 0.0 110.632 -178.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.484 HG12 ' H ' ' A' ' 68' ' ' ARG . 14.4 tt -120.55 125.78 74.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.996 179.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t -104.28 37.3 2.13 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.762 0.791 . . . . 0.0 109.344 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.64 ' NH1' ' HB ' ' A' ' 78' ' ' THR . 39.3 ttm-85 -123.9 154.82 39.17 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.957 -1.019 . . . . 0.0 108.776 -177.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -75.05 139.77 43.07 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.082 0.468 . . . . 0.0 111.248 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -157.02 159.71 38.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.858 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.68 -79.94 1.49 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 109.799 -1.321 . . . . 0.0 109.799 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -174.57 -43.32 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 123.131 0.572 . . . . 0.0 110.249 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.1 p -96.44 -5.72 38.99 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.135 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -147.05 145.99 29.85 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.085 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.4 HG23 ' CD2' ' A' ' 77' ' ' LEU . 14.8 t -143.85 147.44 34.07 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 173.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -85.84 122.52 30.03 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.052 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.4 ' CD2' HG23 ' A' ' 75' ' ' THR . 4.4 mm? -98.96 114.62 27.34 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.27 0.557 . . . . 0.0 111.258 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.64 ' HB ' ' NH1' ' A' ' 68' ' ' ARG . 19.0 m -111.86 96.24 5.95 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.696 178.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -89.73 -15.14 33.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.28 -45.71 0.62 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.723 0.809 . . . . 0.0 111.976 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -79.65 137.96 37.24 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 121.053 0.454 . . . . 0.0 110.677 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.464 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 67.0 t60 -66.85 -37.84 85.22 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.538 -178.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.616 ' O ' ' HG2' ' A' ' 87' ' ' ARG . 4.1 p -60.88 -48.17 83.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.465 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.9 p -68.74 -29.08 67.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.055 0.455 . . . . 0.0 110.969 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 63.9 t80 -59.79 -49.52 77.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.599 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.3 tp -67.12 -34.14 76.97 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.237 -177.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 83' ' ' SER . 39.0 mmt180 -65.88 -17.21 64.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.767 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.19 -12.22 30.82 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.9 tp -60.15 -49.12 78.89 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 111.633 0.234 . . . . 0.0 111.633 -175.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 46.26 34.55 2.24 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 176.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -91.83 61.99 4.26 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.182 0.515 . . . . 0.0 110.129 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -168.08 91.6 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 50.57 36.31 31.27 Favored Glycine 0 N--CA 1.465 0.607 0 CA-C-N 116.051 -0.522 . . . . 0.0 113.782 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 30.9 m -96.63 85.19 3.8 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.265 0.555 . . . . 0.0 110.517 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.533 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 82.5 mt -99.83 120.93 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.429 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -116.35 122.98 46.47 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.9 t 70.37 -52.79 0.65 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.85 0.86 . . . . 0.0 112.438 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -160.45 -25.24 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.196 -1.002 . . . . 0.0 113.566 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.75 155.89 49.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.317 0.559 . . . . 0.0 111.328 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.533 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -73.47 141.28 46.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.171 177.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 38.5 pt -89.36 129.19 40.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 CA-C-O 121.042 0.449 . . . . 0.0 109.939 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.98 124.26 8.18 Favored Glycine 0 N--CA 1.436 -1.33 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.297 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.47 ' SG ' HG22 ' A' ' 15' ' ' VAL . 38.5 m -127.74 119.87 26.7 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 120.957 0.408 . . . . 0.0 110.273 178.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.4 m -133.27 158.48 75.62 Favored Pre-proline 0 C--N 1.315 -0.899 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -61.21 147.28 96.04 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.211 1.941 . . . . 0.0 110.724 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -56.51 123.33 14.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.15 0.5 . . . . 0.0 111.598 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -135.5 151.9 50.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.883 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -64.53 -48.2 75.96 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.283 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 113' ' ' GLU . 9.6 tp10 -66.73 -34.98 79.05 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.124 -178.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.533 ' O ' HD23 ' A' ' 114' ' ' LEU . 2.8 tm? -58.88 -47.79 83.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.882 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.2 mm -64.93 -43.15 96.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.277 0.56 . . . . 0.0 110.344 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.7 m -61.41 -40.74 95.51 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.595 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.624 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 68.4 mt-10 -66.72 -42.91 85.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 111.312 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 110' ' ' LEU . 2.8 mm? -64.57 -38.56 91.42 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.991 0.424 . . . . 0.0 111.578 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.2 p -79.04 -5.66 54.51 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 -176.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 113' ' ' GLU . 15.6 ptm180 -65.88 -20.02 66.08 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.09 -178.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -130.53 11.01 5.27 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.654 0.74 . . . . 0.0 109.237 175.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -107.88 -26.04 5.69 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.851 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -98.35 92.79 5.86 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -85.48 45.32 1.18 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.438 -178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -138.37 150.04 46.17 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.236 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -84.78 128.05 34.42 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.829 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -72.34 115.09 11.18 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 6.5 p80 . . . . . 0 C--N 1.313 -0.996 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.22 -179.881 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 110.046 -0.354 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -129.59 154.55 46.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.802 0.334 . . . . 0.0 110.704 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.49 154.26 26.4 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.661 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.0 111.59 1.84 Allowed Glycine 0 N--CA 1.437 -1.256 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -130.6 155.52 46.4 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.4 0.619 . . . . 0.0 112.504 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -84.93 66.91 9.97 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.638 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.4 p -76.32 -1.4 26.52 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.507 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -94.07 4.41 53.94 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.214 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.3 p -76.88 -53.31 8.05 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.829 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 57.48 -112.39 3.66 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.695 178.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -120.5 19.73 11.94 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.009 0.433 . . . . 0.0 110.282 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.52 140.15 34.71 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.782 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.1 m -133.58 164.5 34.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.949 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.2 t -118.29 128.38 75.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.583 HG22 ' SG ' ' A' ' 103' ' ' CYS . 8.3 t -109.18 135.1 49.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -145.52 157.82 43.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.892 0.377 . . . . 0.0 111.79 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.89 35.47 2.19 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.69 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.5 ' HB2' HD11 ' A' ' 22' ' ' ILE . 31.9 p90 -151.64 168.05 26.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.871 0.336 . . . . 0.0 111.372 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -133.92 167.8 19.93 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.989 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.98 93.29 1.36 Allowed 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 178.79 -33.38 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.784 0.802 . . . . 0.0 109.489 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.5 HD11 ' HB2' ' A' ' 18' ' ' TYR . 2.9 pp -99.27 16.95 3.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.525 -177.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.463 HG23 ' HB2' ' A' ' 37' ' ' LEU . 19.6 m -58.74 -48.46 81.11 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -173.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -61.26 -37.15 82.07 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.412 -176.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.08 -54.23 28.33 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.05 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.527 HG23 ' CD1' ' A' ' 30' ' ' PHE . 8.4 mt -64.69 -39.93 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.604 0.24 . . . . 0.0 111.338 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.485 HD22 ' HB2' ' A' ' 31' ' ' ALA . 1.2 tm? -57.89 -41.42 82.51 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.897 177.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.96 -29.07 69.43 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.404 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 85.2 t80 -93.72 -47.35 6.82 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.527 ' CD1' HG23 ' A' ' 26' ' ' ILE . 60.3 m-85 -84.62 -6.55 59.37 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -174.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.633 ' O ' ' HD2' ' A' ' 51' ' ' ARG . . . -59.99 -6.79 1.46 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -64.43 -28.96 70.03 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.981 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.24 -69.37 0.44 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -98.89 177.17 30.16 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 115.811 1.084 . . . . 0.0 115.811 -171.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -108.67 130.59 55.34 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.033 0.933 . . . . 0.0 109.345 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.569 HG13 HD21 ' A' ' 77' ' ' LEU . 2.8 mp -131.33 137.63 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.371 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.536 HD12 HG22 ' A' ' 36' ' ' ILE . 2.0 mp 64.59 -167.48 0.22 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.368 0.667 . . . . 0.0 111.588 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -123.06 -11.48 8.05 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -175.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -90.02 82.84 6.08 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.263 0.554 . . . . 0.0 110.949 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.62 -54.01 6.03 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.59 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 62.22 -81.54 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 O-C-N 123.594 0.559 . . . . 0.0 111.269 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -114.13 102.8 10.49 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.619 ' HG2' ' NH1' ' A' ' 65' ' ' ARG . 1.6 mp0 -91.13 22.19 3.9 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.244 -172.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER 45.97 73.51 0.17 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.323 0.582 . . . . 0.0 112.342 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.07 167.12 42.73 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.377 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.27 5.57 48.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.609 0.719 . . . . 0.0 110.006 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.1 t -78.11 17.2 0.63 Allowed 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.053 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.3 -38.11 85.63 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.26 0.552 . . . . 0.0 109.793 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.616 ' HB ' ' HA ' ' A' ' 58' ' ' GLN . 15.2 t -65.67 -18.16 65.12 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.495 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.4 tpt -104.11 -3.03 25.01 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.402 0.62 . . . . 0.0 110.136 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.633 ' HD2' ' O ' ' A' ' 31' ' ' ALA . 13.3 tpp180 -68.46 -48.1 65.41 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-O 122.209 1.004 . . . . 0.0 109.01 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.769 ' HB ' ' CE1' ' A' ' 55' ' ' TYR . 1.0 OUTLIER -105.56 128.6 26.2 Favored Pre-proline 0 C--N 1.285 -2.228 0 CA-C-N 113.273 -1.785 . . . . 0.0 108.339 177.52 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 52' ' ' THR . 13.8 Cg_exo -67.93 117.55 4.98 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.23 1.953 . . . . 0.0 114.008 -175.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.18 88.64 0.11 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.855 -0.611 . . . . 0.0 113.917 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.769 ' CE1' ' HB ' ' A' ' 52' ' ' THR . 6.8 m-85 -131.37 177.5 7.43 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -96.48 6.27 49.1 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -168.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -160.68 159.46 30.31 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.41 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.616 ' HA ' ' HB ' ' A' ' 49' ' ' THR . 60.1 tt0 -88.45 -43.79 11.2 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.122 0.487 . . . . 0.0 109.963 176.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -169.89 99.11 0.3 Allowed 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.085 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.87 88.02 34.78 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-O 120.917 0.389 . . . . 0.0 111.793 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -63.51 -31.63 71.17 Favored 'Trans proline' 0 N--CA 1.479 0.655 0 C-N-CA 123.311 2.674 . . . . 0.0 113.858 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -91.64 7.58 40.86 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -174.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -129.55 147.54 51.36 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -60.89 104.7 0.38 Allowed 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.619 ' NH1' ' HG2' ' A' ' 43' ' ' GLU . 56.3 mtt180 -64.44 -44.19 91.94 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.694 -173.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.5 tt -68.66 121.11 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.336 0 CA-C-O 121.453 0.644 . . . . 0.0 110.129 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -61.55 -37.23 83.03 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.974 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.515 ' HD3' ' HB3' ' A' ' 76' ' ' LYS . 47.5 ttt85 -85.9 136.46 33.28 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.397 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.07 152.72 38.59 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.927 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -113.63 152.14 30.79 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.586 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.08 -63.98 1.76 Allowed Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.724 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 -161.62 -54.4 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.3 p -126.26 20.37 7.46 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 63.5 p-90 -136.26 147.66 47.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.013 0.435 . . . . 0.0 111.78 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.6 m -136.6 135.32 38.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.542 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.515 ' HB3' ' HD3' ' A' ' 68' ' ' ARG . 86.4 tttt -90.91 122.52 33.67 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.569 HD21 HG13 ' A' ' 36' ' ' ILE . 68.3 mt -105.57 108.06 19.38 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 121.055 0.455 . . . . 0.0 110.641 177.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.0 m -100.18 95.73 7.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.47 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 89.0 m-85 -76.99 -31.61 56.63 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.586 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.66 10.51 7.11 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.634 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 79' ' ' TYR . 9.3 p30 -136.55 147.92 47.3 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -78.69 -23.27 45.72 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.554 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.8 m -59.33 -60.69 3.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.719 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.1 p -73.92 -16.48 61.1 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -59.54 -48.33 82.06 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 120.782 0.325 . . . . 0.0 110.458 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.87 -37.7 88.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.136 0.493 . . . . 0.0 111.155 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -66.71 -23.71 66.15 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.522 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.577 ' O ' ' HB3' ' A' ' 103' ' ' CYS . . . -78.68 -14.61 59.21 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.6 mp -75.49 -3.53 34.52 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 90' ' ' ARG . 10.8 ptp85 -43.01 120.27 1.75 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.434 0.635 . . . . 0.0 112.524 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.06 85.01 0.59 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -150.25 24.31 0.82 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.746 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.32 38.95 4.37 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.845 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.469 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 35.1 m -75.32 94.98 3.11 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 97.4 mt -82.91 121.52 36.08 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.593 -178.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -134.71 128.82 33.72 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 70.7 m 64.57 14.35 8.9 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 121.081 0.467 . . . . 0.0 111.097 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.5 -15.41 42.08 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 121.09 -0.576 . . . . 0.0 113.857 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.79 151.27 43.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.589 0.695 . . . . 0.0 111.332 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -81.66 110.04 16.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.851 0.358 . . . . 0.0 110.71 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 47.7 pt -85.47 164.38 2.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.105 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -150.09 156.35 26.69 Favored Glycine 0 N--CA 1.44 -1.052 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.31 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.583 ' SG ' HG22 ' A' ' 15' ' ' VAL . 42.7 t -142.67 136.91 29.53 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.1 m -129.63 165.98 29.15 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.585 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.91 150.05 85.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.644 2.229 . . . . 0.0 111.235 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -61.89 126.39 27.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.432 0.634 . . . . 0.0 112.109 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -127.59 125.87 41.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.146 -0.933 . . . . 0.0 109.019 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -65.16 -36.04 82.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.165 0.507 . . . . 0.0 110.14 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -69.39 -35.53 75.88 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.146 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 62.2 tp -63.36 -42.51 98.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.751 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 47.6 mm -61.52 -46.71 96.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.058 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 8.5 p -63.6 -43.45 96.88 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.35 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -65.43 -40.34 93.21 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.773 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 86.7 mt -62.41 -42.65 99.59 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 120.918 0.389 . . . . 0.0 110.747 178.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.5 m -64.75 -43.21 94.08 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.787 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 112' ' ' SER . 99.5 mtt180 -66.84 -43.39 83.83 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.309 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.43 ' HG2' ' H ' ' A' ' 119' ' ' HIS . 41.7 tt0 -162.93 -68.95 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.257 0.551 . . . . 0.0 110.111 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 88.8 -8.74 78.72 Favored Glycine 0 C--N 1.301 -1.389 0 CA-C-N 115.221 -0.899 . . . . 0.0 113.842 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.43 ' H ' ' HG2' ' A' ' 117' ' ' GLU . 94.2 m-70 -89.64 68.11 7.58 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 122.273 -0.545 . . . . 0.0 111.771 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -135.49 117.64 15.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.024 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -103.97 -52.53 2.93 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.808 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 65.39 -62.42 0.22 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.59 0.756 . . . . 0.0 112.175 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -147.67 -34.49 0.24 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.577 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.132 179.559 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 ttp . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 120.793 0.33 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -133.2 126.15 30.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.783 0.325 . . . . 0.0 110.903 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.545 ' H ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -108.23 -1.71 19.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 178.573 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.28 141.57 3.2 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.843 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 p -85.07 164.88 17.94 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.805 0.336 . . . . 0.0 111.286 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -85.5 -19.56 31.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.329 0.585 . . . . 0.0 109.717 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.4 t 57.13 18.29 4.02 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.564 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 58.31 19.13 6.02 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.452 0.701 . . . . 0.0 110.784 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.456 ' HA ' ' HB3' ' A' ' 106' ' ' TYR . 17.4 m -73.81 -53.36 10.44 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.184 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.02 -113.77 2.1 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.689 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -117.0 22.98 12.21 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 122.687 0.395 . . . . 0.0 110.847 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.78 144.58 36.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.07 0.462 . . . . 0.0 111.325 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.9 m -126.64 160.65 34.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.95 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -112.15 124.19 68.63 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.9 t -117.65 129.74 73.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -142.66 155.12 44.88 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -176.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.37 20.14 4.82 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.688 -0.687 . . . . 0.0 113.098 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.578 ' HB2' HD11 ' A' ' 22' ' ' ILE . 42.6 p90 -143.32 165.04 28.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.151 0.475 . . . . 0.0 112.001 -178.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.56 ' O ' HG12 ' A' ' 22' ' ' ILE . 46.6 ttp180 -107.31 151.35 25.6 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.761 -175.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.598 ' HA ' HD22 ' A' ' 37' ' ' LEU . 10.0 tp10 -54.27 -32.64 56.71 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.855 0.862 . . . . 0.0 113.051 -175.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.74 -11.83 60.07 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 18' ' ' TYR . 5.2 pt -86.5 23.92 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -174.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.552 HG21 ' O ' ' A' ' 39' ' ' ASP . 13.1 m -59.15 -44.04 92.07 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.759 0.314 . . . . 0.0 111.45 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 3.5 mppt? -61.84 -21.85 65.01 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.914 0.387 . . . . 0.0 111.34 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -93.02 -67.44 0.86 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.164 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.454 ' CG1' HD12 ' A' ' 22' ' ' ILE . 8.7 mm -64.28 -43.91 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.539 ' HB3' ' O ' ' A' ' 23' ' ' THR . 8.3 tt -60.04 -29.73 68.71 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.76 99.44 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 120.784 0.326 . . . . 0.0 111.553 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -89.24 -44.53 10.2 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.876 0.37 . . . . 0.0 111.713 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.536 ' HD2' ' CE1' ' A' ' 33' ' ' PHE . 22.1 m-85 -77.63 -0.88 28.26 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.221 1.008 . . . . 0.0 113.542 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -42.11 -13.01 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -61.34 -39.5 90.81 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.536 ' CE1' ' HD2' ' A' ' 30' ' ' PHE . 69.8 m-85 -65.74 -36.9 84.88 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.943 177.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.553 ' HA3' ' OG1' ' A' ' 52' ' ' THR . . . 110.26 -118.35 5.0 Favored Glycine 0 N--CA 1.429 -1.8 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.408 -176.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -90.28 98.31 11.7 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.919 0.39 . . . . 0.0 110.771 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.8 mm -67.61 -44.33 86.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.832 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.598 HD22 ' HA ' ' A' ' 20' ' ' GLU . 71.3 mt -128.03 161.62 28.75 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.654 -174.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -81.73 -19.6 41.1 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.545 0.688 . . . . 0.0 110.068 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.552 ' O ' HG21 ' A' ' 23' ' ' THR . 12.4 t70 -69.52 143.69 53.37 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tt -129.81 -81.18 0.55 Allowed 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.784 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 64.88 -63.63 0.18 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.631 0.772 . . . . 0.0 111.566 -177.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.1 t -147.28 135.96 21.98 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -124.2 -144.47 0.33 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 mp -83.22 140.01 32.79 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.02 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.89 -34.42 48.0 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -130.22 -161.27 1.11 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 m 61.05 34.89 19.04 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 121.688 0.756 . . . . 0.0 110.702 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.67 -33.78 73.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.504 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.5 p -65.81 -26.58 67.74 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.101 -0.954 . . . . 0.0 113.376 -176.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 64.4 ttp -100.9 89.26 3.79 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.605 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.2 mmm-85 -144.72 173.66 11.65 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.553 ' OG1' ' HA3' ' A' ' 34' ' ' GLY . 15.4 m -56.92 122.2 50.97 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.93 116.57 3.32 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 123.008 2.472 . . . . 0.0 113.11 -175.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.61 -1.79 58.56 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.455 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -123.88 103.96 8.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.22 0.51 . . . . 0.0 112.315 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -112.1 18.15 18.96 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.3 p90 44.5 -178.26 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 176.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -136.56 149.74 48.24 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 115.089 -0.959 . . . . 0.0 108.734 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -103.23 95.31 6.02 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.138 0.494 . . . . 0.0 110.525 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.694 ' O ' ' HD2' ' A' ' 63' ' ' ARG . . . -153.61 153.06 28.49 Favored Pre-proline 0 C--O 1.212 -0.874 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.66 -31.92 93.2 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.419 2.08 . . . . 0.0 113.179 -178.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -101.38 33.8 2.79 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.96 0.41 . . . . 0.0 111.758 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.694 ' HD2' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -87.36 109.18 19.37 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -175.074 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 89.27 7.42 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 169.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -72.63 -43.6 63.04 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.14 -174.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.518 HG12 ' H ' ' A' ' 68' ' ' ARG . 19.4 tt -93.96 121.57 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-O 121.888 0.851 . . . . 0.0 111.524 -176.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.1 m -91.98 5.54 49.73 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.438 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.518 ' H ' HG12 ' A' ' 66' ' ' ILE . 14.6 mmm180 -99.89 140.07 34.64 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.46 -179.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -75.27 145.27 42.01 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.976 0.417 . . . . 0.0 111.575 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -150.94 162.57 40.55 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.918 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -116.29 -150.64 9.51 Favored Glycine 0 N--CA 1.437 -1.283 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.085 -177.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -62.73 -49.42 75.13 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.0 p -135.45 12.42 3.5 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.787 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -129.69 142.3 50.75 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.965 -178.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.439 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 89.4 m -133.27 133.15 42.25 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -95.57 105.04 16.97 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.5 mt -100.74 127.35 47.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.593 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.1 m -113.14 121.68 45.26 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.728 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.501 ' HE2' ' HB2' ' A' ' 88' ' ' ALA . 21.0 m-85 -87.01 -28.37 22.67 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 117.009 -0.087 . . . . 0.0 111.232 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 79' ' ' TYR . . . 80.9 -1.31 1.81 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.844 0.858 . . . . 0.0 111.76 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -128.76 138.05 51.89 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 120.661 0.267 . . . . 0.0 110.56 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.451 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 16.1 t60 -67.22 -37.41 83.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.029 -178.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m -61.06 -44.81 96.82 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.103 0.478 . . . . 0.0 109.864 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -67.7 -33.87 75.77 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.257 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.451 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 30.9 t80 -57.88 -48.19 80.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.168 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.4 tp -66.29 -31.93 73.03 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-O 121.086 0.469 . . . . 0.0 111.345 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -79.8 -9.83 59.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.177 0.513 . . . . 0.0 111.265 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.501 ' HB2' ' HE2' ' A' ' 79' ' ' TYR . . . -91.19 -10.21 42.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.597 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.2 tp -58.43 -43.68 88.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.462 -174.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 47.44 -137.45 0.79 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.819 0.448 . . . . 0.0 111.886 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 62.18 26.85 16.14 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.94 0.896 . . . . 0.0 111.729 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -112.4 80.78 1.38 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.993 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 67.38 29.89 74.69 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.679 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.4 m -85.49 89.11 7.61 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.131 0.491 . . . . 0.0 110.953 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.9 mt -108.19 128.11 63.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.137 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -132.4 133.22 43.65 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.367 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.0 t 63.44 13.55 7.23 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.004 0.521 . . . . 0.0 111.63 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.15 10.07 55.01 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.307 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.76 148.41 47.23 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.989 0.394 . . . . 0.0 110.722 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.46 125.85 35.71 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.174 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 49.5 pt -91.86 145.85 7.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.028 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.33 129.46 9.9 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.183 -1.008 . . . . 0.0 112.023 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 56.2 m -130.86 111.8 12.43 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.5 m -139.75 164.81 35.51 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.683 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.53 157.49 61.62 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.36 2.04 . . . . 0.0 110.17 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.456 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 52.5 t80 -59.76 117.01 4.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.901 0.381 . . . . 0.0 111.044 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.472 ' O ' HD13 ' A' ' 111' ' ' ILE . 2.1 mptm? -116.05 135.72 53.69 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 174.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -64.09 -40.5 96.36 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.129 0.49 . . . . 0.0 110.463 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.53 -39.98 92.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.286 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.468 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 59.5 tp -61.93 -46.86 87.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 110.658 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.472 HD13 ' O ' ' A' ' 107' ' ' LYS . 1.7 mp -62.87 -40.73 89.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.542 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.485 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 6.7 t -58.56 -47.54 83.87 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.068 178.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.88 -39.76 87.61 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.141 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 92.6 mt -62.64 -38.92 92.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.999 0.428 . . . . 0.0 110.765 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.3 t -65.19 -40.56 94.41 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.908 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 112' ' ' SER . 21.1 mmm180 -66.44 -53.08 39.56 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.701 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 117' ' ' GLU . 42.0 tt0 50.06 38.95 17.98 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.807 0.843 . . . . 0.0 110.971 -177.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.26 -45.14 1.59 Allowed Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.453 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.8 t60 56.33 28.47 13.47 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.778 0.799 . . . . 0.0 110.003 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -82.4 32.56 0.4 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.515 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 62.31 -101.54 0.1 Allowed 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.536 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -178.7 164.43 1.57 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -65.77 -32.91 74.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.97 0.414 . . . . 0.0 111.039 177.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 . . . . . 0 C--N 1.317 -0.84 0 CA-C-O 118.233 -0.889 . . . . 0.0 109.467 177.774 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 tmm? . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 p -157.58 -21.01 0.09 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.36 -43.66 97.05 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.754 0.311 . . . . 0.0 111.415 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.07 163.62 39.86 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.135 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -82.47 -21.08 35.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.752 0.31 . . . . 0.0 110.617 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 52.05 56.3 7.97 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.474 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 p -106.6 69.8 0.79 Allowed 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.816 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -73.63 -45.49 52.6 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 121.807 0.813 . . . . 0.0 109.705 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.6 m -92.56 -69.21 0.76 Allowed 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 114.561 -1.199 . . . . 0.0 110.436 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.49 -97.42 0.24 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.398 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -120.22 22.98 11.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.086 0.469 . . . . 0.0 111.258 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.25 144.2 27.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.211 177.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -132.87 160.36 42.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.882 0.372 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.4 t -106.15 117.76 52.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 102' ' ' GLY . 21.5 t -109.56 130.45 62.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -141.81 167.83 21.21 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.36 -7.95 12.36 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.455 ' HE2' HG12 ' A' ' 15' ' ' VAL . 36.2 p90 -128.35 167.96 16.22 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.637 0.256 . . . . 0.0 110.662 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.41 ' O ' HG13 ' A' ' 22' ' ' ILE . 33.2 ptt-85 -120.86 158.56 27.35 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.526 -177.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.475 ' HA ' HD22 ' A' ' 37' ' ' LEU . 34.1 tt0 -73.31 84.3 1.42 Allowed 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.05 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.418 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.414 ' H ' HG13 ' A' ' 22' ' ' ILE . 2.8 pp -89.79 27.35 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.524 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.9 m -43.6 -69.3 0.14 Allowed 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 124.404 1.082 . . . . 0.0 112.899 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.497 ' HG3' ' CD ' ' A' ' 43' ' ' GLU . 1.5 mptm? -61.48 -34.03 74.79 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -175.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -58.41 -68.66 0.23 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.998 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.6 tt -70.56 -27.1 29.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.784 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.526 HD11 ' NH2' ' A' ' 51' ' ' ARG . 40.5 tp -61.28 -37.43 83.13 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -178.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.14 -28.01 16.4 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -93.99 -47.52 6.67 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.481 ' CB ' HD11 ' A' ' 36' ' ' ILE . 69.2 m-85 -87.31 -8.5 56.64 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -173.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 51' ' ' ARG . . . -60.39 -25.79 66.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.617 0.246 . . . . 0.0 111.113 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -63.01 -31.86 73.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.993 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -88.95 -44.21 10.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.478 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.443 ' HA2' ' HB3' ' A' ' 51' ' ' ARG . . . 169.57 -178.71 42.46 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.093 -1.051 . . . . 0.0 113.243 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.47 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 2.0 pm0 -75.19 150.77 38.59 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 122.944 0.498 . . . . 0.0 110.22 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.481 HD11 ' CB ' ' A' ' 30' ' ' PHE . 61.0 mt -120.67 -83.51 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -174.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 20' ' ' GLU . 2.4 mt -67.17 -75.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.347 -173.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 66' ' ' ILE . 41.6 tt0 -175.89 39.83 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -59.57 136.64 58.04 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.024 -1.444 . . . . 0.0 112.965 -175.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -97.26 -20.84 17.62 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.2 -178.13 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -120.99 138.13 54.31 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.412 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 65.8 p -71.16 -23.91 62.15 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -177.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.497 ' CD ' ' HG3' ' A' ' 24' ' ' LYS . 63.3 mm-40 68.25 2.89 3.44 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.53 0.518 . . . . 0.0 111.971 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.3 mt -115.39 -46.89 2.86 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-O 120.848 0.356 . . . . 0.0 111.196 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.16 -58.81 4.94 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -106.35 152.68 23.26 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.48 ' O ' HG22 ' A' ' 47' ' ' THR . 26.5 m 69.93 14.55 7.91 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 122.4 1.095 . . . . 0.0 110.197 -178.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.42 -23.93 67.46 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.382 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 p -80.21 0.76 31.08 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.266 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 58.5 ttp -100.4 -1.29 36.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.092 0.472 . . . . 0.0 109.995 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.526 ' NH2' HD11 ' A' ' 27' ' ' LEU . 56.4 mtp180 -73.64 140.68 46.31 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.675 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.577 ' HB ' ' CD ' ' A' ' 53' ' ' PRO . 4.8 p 53.51 176.43 0.03 OUTLIER Pre-proline 0 CA--C 1.559 1.305 0 C-N-CA 123.919 0.888 . . . . 0.0 112.8 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.577 ' CD ' ' HB ' ' A' ' 52' ' ' THR . 16.6 Cg_exo -69.74 20.18 0.18 Allowed 'Trans proline' 0 C--N 1.364 1.344 0 C-N-CA 122.698 2.266 . . . . 0.0 113.615 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 52' ' ' THR . . . 119.82 42.28 0.53 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.566 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -125.66 -178.48 4.27 Favored 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.06 153.87 48.12 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 42' ' ' SER . 54.9 p90 -76.85 4.05 10.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.601 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -46.66 103.5 0.04 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.813 0.696 . . . . 0.0 111.361 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 63' ' ' ARG . 87.3 mm-40 -63.72 -45.94 87.68 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.16 -178.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.412 ' HB1' ' HD2' ' A' ' 61' ' ' PRO . . . 65.01 159.18 0.12 Allowed Pre-proline 0 C--N 1.315 -0.891 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.93 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 60' ' ' ALA . 62.6 Cg_endo -73.73 5.65 3.26 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 122.046 1.831 . . . . 0.0 112.771 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -144.7 89.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -157.68 135.93 11.03 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.587 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.14 -9.12 37.48 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 121.578 0.704 . . . . 0.0 109.51 175.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -171.05 170.34 6.23 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.603 -1.181 . . . . 0.0 109.749 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.54 HD11 ' NH1' ' A' ' 68' ' ' ARG . 40.9 pt -64.24 -43.13 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.096 0.474 . . . . 0.0 110.238 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.47 ' N ' HG13 ' A' ' 66' ' ' ILE . 35.9 t 174.63 -42.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.575 ' NH1' HG23 ' A' ' 75' ' ' THR . 1.9 ttp-105 -95.14 143.47 26.55 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.996 177.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 42.2 tt0 -86.42 149.72 24.81 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -146.24 132.5 19.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.336 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.15 -51.21 0.95 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.492 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -122.65 -143.1 0.33 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.798 0.333 . . . . 0.0 110.371 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 p -77.79 36.02 0.21 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.407 ' CG ' HD13 ' A' ' 114' ' ' LEU . 58.6 p-90 -128.56 136.62 50.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.06 0.457 . . . . 0.0 111.506 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.575 HG23 ' NH1' ' A' ' 68' ' ' ARG . 96.6 m -136.56 120.92 18.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.819 178.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.496 ' H ' ' HD2' ' A' ' 68' ' ' ARG . 40.0 ttpt -86.48 117.22 25.13 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 tt -106.78 123.79 48.66 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -177.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.4 m -95.4 96.34 9.05 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.411 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -70.21 -42.39 72.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.799 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.67 -44.72 0.59 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.502 0.721 . . . . 0.0 111.517 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.463 ' OD1' ' HB2' ' A' ' 84' ' ' SER . 7.3 p30 -74.27 126.6 31.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.075 0.464 . . . . 0.0 110.747 176.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.446 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 49.6 t-80 -66.73 -39.21 87.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.13 -176.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.5 t -60.03 -44.5 94.58 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 120.7 0.286 . . . . 0.0 111.46 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.463 ' HB2' ' OD1' ' A' ' 81' ' ' ASN . 21.3 m -78.47 -17.4 56.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.619 0.247 . . . . 0.0 110.876 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.446 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 82.2 t80 -61.18 -47.17 87.4 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.25 -39.32 92.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.267 0.556 . . . . 0.0 110.634 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -59.96 -29.74 68.62 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.868 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.24 -13.53 60.79 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.68 -2.7 37.37 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -62.27 36.17 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.355 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -81.49 75.6 8.44 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -137.07 -70.51 0.45 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.208 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -122.47 29.01 5.59 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.835 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.2 m -92.69 93.87 8.71 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.161 0.505 . . . . 0.0 110.913 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.6 mt -113.37 127.17 70.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.104 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -132.01 135.84 46.82 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 30.7 t 64.17 16.88 10.34 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.313 0.578 . . . . 0.0 110.99 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.27 6.86 64.29 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.365 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.71 146.27 52.15 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.811 0.305 . . . . 0.0 110.931 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.5 124.82 33.86 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.8 pt -84.99 132.45 31.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 121.102 0.477 . . . . 0.0 110.498 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.534 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -99.44 146.0 17.79 Favored Glycine 0 N--CA 1.441 -1.032 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.848 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 65.5 m -143.33 111.57 6.21 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.905 0.383 . . . . 0.0 110.329 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.9 m -119.63 153.63 54.35 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.495 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.3 45.92 1.49 Allowed 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.242 2.628 . . . . 0.0 112.697 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 63.9 t80 58.7 111.72 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.202 1.001 . . . . 0.0 112.579 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.437 ' O ' HG12 ' A' ' 111' ' ' ILE . 99.6 mttt -123.87 129.91 51.75 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.849 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -65.07 -33.73 76.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.286 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -66.18 -38.97 89.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.328 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 57.2 tp -61.82 -42.01 98.49 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.869 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 107' ' ' LYS . 44.3 mm -62.45 -43.04 97.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.942 179.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.4 m -61.57 -44.99 96.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -64.96 -42.66 94.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.777 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 94.9 mt -63.48 -43.36 97.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.908 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.2 p -69.81 -37.51 76.28 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.77 -40.53 92.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 46.82 25.13 0.41 Allowed 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 124.706 1.203 . . . . 0.0 113.175 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -159.19 138.73 5.8 Favored Glycine 0 N--CA 1.425 -2.036 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -132.0 150.22 52.21 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 120.696 0.284 . . . . 0.0 110.237 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -92.99 102.79 15.14 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.974 0.416 . . . . 0.0 111.009 -177.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -136.31 25.16 3.22 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.698 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -65.59 -66.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.897 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -165.85 142.85 5.4 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 52.7 t60 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.755 -0.641 . . . . 0.0 109.981 178.473 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.0 mmm . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -91.72 122.46 34.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.012 0.434 . . . . 0.0 110.822 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.86 -40.48 95.21 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.024 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.34 130.12 46.3 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 121.051 -0.595 . . . . 0.0 113.132 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 p -86.56 167.68 14.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.795 0.331 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -92.56 7.91 41.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.284 0.564 . . . . 0.0 110.363 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.6 t -130.67 96.95 4.23 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -106.14 2.77 27.31 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.939 -178.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 84.8 m 71.74 -58.99 0.57 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.89 0.876 . . . . 0.0 112.285 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.48 -142.11 34.86 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.382 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.55 12.03 37.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.402 0.62 . . . . 0.0 109.525 -179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.32 140.34 30.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.314 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -125.57 159.25 33.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -114.98 124.32 71.53 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.3 t -110.99 125.11 68.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -134.73 165.92 24.15 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 120.804 0.335 . . . . 0.0 111.548 -177.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.97 -6.56 10.25 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.181 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -132.11 -176.84 4.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.958 0.409 . . . . 0.0 111.145 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.88 163.82 30.5 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.658 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.476 ' HG2' HD23 ' A' ' 37' ' ' LEU . 1.5 tm-20 -74.28 89.81 2.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.35 0.595 . . . . 0.0 109.811 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.07 -32.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.269 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.407 HD13 HD12 ' A' ' 26' ' ' ILE . 2.9 pp -86.66 19.91 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.721 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.421 HG21 ' O ' ' A' ' 39' ' ' ASP . 22.0 m -51.49 -49.42 61.89 Favored 'General case' 0 C--O 1.206 -1.213 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -56.77 -35.43 68.65 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -175.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -75.95 -68.73 0.55 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.407 HD12 HD13 ' A' ' 22' ' ' ILE . 25.2 mt -64.87 -30.0 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -175.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 23' ' ' THR . 44.7 tp -59.86 -44.47 94.12 Favored 'General case' 0 C--O 1.205 -1.248 0 C-N-CA 121.249 -0.18 . . . . 0.0 110.692 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.69 84.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.943 0.401 . . . . 0.0 110.843 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -63.46 -48.21 78.62 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.08 -178.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -94.2 -7.92 40.83 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.691 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -65.18 -4.26 4.84 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.043 0.449 . . . . 0.0 111.523 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -58.86 -35.7 73.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.085 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.448 ' HA ' ' O ' ' A' ' 50' ' ' MET . 2.4 p90 -135.47 9.62 3.42 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.429 -177.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.691 ' O ' ' HA ' ' A' ' 31' ' ' ALA . . . -172.84 -162.32 24.75 Favored Glycine 0 C--O 1.224 -0.501 0 C-N-CA 119.957 -1.116 . . . . 0.0 112.861 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -142.82 147.06 34.83 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.403 ' H ' ' CD1' ' A' ' 27' ' ' LEU . 13.1 mt -138.02 153.46 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.699 0.285 . . . . 0.0 111.324 -176.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.476 HD23 ' HG2' ' A' ' 20' ' ' GLU . 2.1 mp 68.76 -176.1 0.2 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.626 0.77 . . . . 0.0 111.737 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -118.77 32.47 6.12 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.421 ' O ' HG21 ' A' ' 23' ' ' THR . 22.6 t70 -143.56 141.67 30.78 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.8 mt -133.1 -77.73 0.49 Allowed 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.454 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 68.72 -66.34 0.25 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.128 0.971 . . . . 0.0 111.359 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.1 m -154.16 89.51 1.29 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.559 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 1.1 mp0 -79.37 -73.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.085 0.469 . . . . 0.0 110.188 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 46' ' ' ASP . 1.1 pp -154.72 161.03 41.7 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.748 179.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.94 4.22 22.55 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.147 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' O ' HD13 ' A' ' 44' ' ' LEU . 34.6 t70 -132.48 158.54 41.82 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.453 HG23 ' OD2' ' A' ' 46' ' ' ASP . 81.3 p 57.81 18.6 5.01 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.55 0.74 . . . . 0.0 112.645 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -83.7 -7.76 59.41 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.024 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.405 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 47.5 p -84.57 -6.95 59.4 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.448 ' O ' ' HA ' ' A' ' 33' ' ' PHE . 91.6 mmm -102.99 13.24 34.79 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -177.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.482 ' HB2' ' HA ' ' A' ' 56' ' ' PHE . 97.0 mtt180 -75.48 123.56 25.65 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.519 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.507 ' HB ' ' CD ' ' A' ' 53' ' ' PRO . 7.3 p 57.16 175.63 0.04 OUTLIER Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 124.157 0.983 . . . . 0.0 112.053 177.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.507 ' CD ' ' HB ' ' A' ' 52' ' ' THR . 3.8 Cg_exo -76.35 26.07 0.42 Allowed 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 122.581 2.188 . . . . 0.0 114.036 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.95 -23.09 0.39 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 119.134 -1.508 . . . . 0.0 115.334 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -106.66 110.19 22.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 117.789 0.795 . . . . 0.0 111.44 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.482 ' HA ' ' HB2' ' A' ' 51' ' ' ARG . 29.3 m-85 -65.1 -72.28 0.16 Allowed 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.52 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -170.91 129.89 0.78 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.819 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -104.0 121.96 44.23 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.002 0.43 . . . . 0.0 110.958 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -98.11 14.4 27.71 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.3 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.41 ' HB1' ' HD2' ' A' ' 61' ' ' PRO . . . -58.36 159.2 12.29 Favored Pre-proline 0 CA--C 1.537 0.468 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.294 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.41 ' HD2' ' HB1' ' A' ' 60' ' ' ALA . 30.9 Cg_endo -64.41 -21.19 66.62 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 122.689 2.259 . . . . 0.0 113.61 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -126.16 89.47 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.169 0.509 . . . . 0.0 110.654 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.666 ' O ' ' HD2' ' A' ' 63' ' ' ARG . 4.1 ppt_? -159.72 147.29 16.89 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.933 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.512 ' HA ' ' NE ' ' A' ' 64' ' ' ARG . 5.2 mmp_? -113.84 22.77 13.67 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.32 178.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 51.74 -94.57 0.03 OUTLIER 'General case' 0 C--N 1.345 0.405 0 C-N-CA 124.125 0.97 . . . . 0.0 111.926 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.3 tt -63.73 -42.2 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.515 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.9 t 57.62 26.55 13.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.763 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -125.87 153.55 43.99 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.185 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 45.7 tt0 -74.74 139.57 43.49 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.286 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.3 p-80 -144.34 164.85 29.58 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.304 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.06 -138.14 8.19 Favored Glycine 0 N--CA 1.438 -1.224 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -101.51 -46.45 4.98 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 120.907 0.384 . . . . 0.0 111.302 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 p -112.13 2.85 16.92 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.611 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -138.33 145.77 41.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.843 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.0 m -127.82 126.79 42.33 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.444 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 69' ' ' GLU . 37.9 ttpt -97.49 108.83 21.63 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 pp -126.77 140.18 52.57 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.433 0.635 . . . . 0.0 112.061 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.532 HG22 ' H ' ' A' ' 80' ' ' ALA . 33.2 m -112.43 125.38 54.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.341 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -87.98 -7.42 57.12 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.682 0.277 . . . . 0.0 110.804 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.532 ' H ' HG22 ' A' ' 78' ' ' THR . . . 65.03 14.88 9.66 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.203 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -145.55 163.92 33.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.187 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -93.9 -20.38 20.09 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 120.74 0.305 . . . . 0.0 110.986 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.4 m -60.64 -45.71 93.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.322 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.3 t -87.02 -16.49 35.52 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.644 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -60.38 -52.47 65.1 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.597 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.7 -40.26 72.99 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.074 0.464 . . . . 0.0 111.883 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -63.49 -38.39 90.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.675 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.94 -19.99 65.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.08 -5.12 24.63 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -51.5 127.66 20.72 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -126.23 -119.97 0.26 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.492 -0.776 . . . . 0.0 108.965 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 54.66 -96.47 0.06 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.381 0.672 . . . . 0.0 112.756 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.81 8.12 59.54 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.62 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.4 m -74.91 85.44 2.24 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.607 0.717 . . . . 0.0 109.787 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.7 mt -113.65 124.29 70.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.001 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -126.84 134.9 50.43 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.4 t 62.77 19.85 11.73 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.24 0.543 . . . . 0.0 110.832 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.28 14.2 64.49 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.114 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.87 146.87 38.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.969 0.385 . . . . 0.0 110.661 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.17 138.98 50.03 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 57.3 mt -84.49 128.28 39.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.77 99.6 2.09 Favored Glycine 0 N--CA 1.433 -1.513 0 C-N-CA 120.261 -0.971 . . . . 0.0 112.352 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 58.9 m -111.43 110.08 20.36 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.7 m -136.75 158.49 72.97 Favored Pre-proline 0 C--N 1.315 -0.916 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.024 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.85 152.93 76.17 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.358 2.039 . . . . 0.0 111.06 176.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -56.72 127.65 32.56 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.131 0.491 . . . . 0.0 111.612 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -133.63 137.96 45.68 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -67.92 -40.9 83.3 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.079 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' ' 113' ' ' GLU . 43.2 tt0 -66.47 -35.27 79.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.759 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.85 -42.55 93.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.834 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.5 mm -61.43 -47.28 94.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.646 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.445 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 9.0 p -65.1 -39.33 92.98 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 60.8 mm-40 -63.14 -50.14 71.62 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 120.896 0.379 . . . . 0.0 110.978 -177.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.46 -37.21 86.75 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 56.6 m -64.88 -14.66 60.35 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 112' ' ' SER . 60.4 mtt180 -91.62 -0.31 57.57 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.519 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 63.97 20.35 12.16 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.342 0.657 . . . . 0.0 111.555 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 129.42 112.69 1.6 Allowed Glycine 0 N--CA 1.433 -1.559 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -178.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -87.35 85.09 7.13 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-O 120.998 0.428 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.447 ' CG ' ' H ' ' A' ' 121' ' ' HIS . 18.4 t-80 49.84 -131.58 1.87 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.134 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.447 ' H ' ' CG ' ' A' ' 120' ' ' HIS . 64.9 m80 -147.53 163.46 36.5 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -88.43 88.25 7.56 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.049 0.452 . . . . 0.0 110.38 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.418 ' CE1' ' HB2' ' A' ' 121' ' ' HIS . 54.0 m80 -98.21 78.1 2.45 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 176.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.671 -178.215 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 120.426 0.155 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -152.22 135.43 15.82 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.741 0.305 . . . . 0.0 111.045 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -116.51 144.78 43.92 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.39 132.51 11.14 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.748 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -78.14 144.93 36.0 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -81.43 -13.02 58.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.523 0.678 . . . . 0.0 110.036 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.8 m -134.96 93.46 3.01 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.91 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -73.82 -7.01 50.55 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.314 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 m 72.78 -39.1 0.44 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.254 1.022 . . . . 0.0 112.286 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.34 17.59 4.01 Favored Glycine 0 C--O 1.223 -0.563 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.271 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -96.83 4.5 51.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.488 0.661 . . . . 0.0 109.317 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.19 145.16 38.99 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.764 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.2 m -118.42 155.21 20.51 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.54 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.8 t -115.2 126.76 72.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.3 t -115.13 132.24 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.117 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -141.38 164.96 28.82 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.007 -178.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.16 -10.06 9.47 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.86 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -121.03 -173.27 2.57 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.478 0.18 . . . . 0.0 111.069 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.699 ' O ' HG13 ' A' ' 22' ' ' ILE . 43.0 ttp180 -137.34 169.32 17.98 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.33 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HA ' HD22 ' A' ' 37' ' ' LEU . 34.1 tt0 -58.68 -29.34 66.54 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.122 0.569 . . . . 0.0 112.385 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.41 -14.0 61.52 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.699 HG13 ' O ' ' A' ' 19' ' ' ARG . 2.6 pp -107.33 13.82 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.559 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 92.7 m -50.64 -46.31 58.27 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -176.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -54.07 -36.29 62.98 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 123.381 0.426 . . . . 0.0 111.669 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -71.5 -57.18 4.66 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.3 mm -68.03 -22.43 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 121.572 0.701 . . . . 0.0 110.644 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.585 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 34.2 tp -60.33 -41.73 94.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.675 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.55 78.6 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -92.41 -72.36 0.6 Allowed 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -69.35 -37.68 77.76 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.784 ' HB2' HG12 ' A' ' 36' ' ' ILE . . . -79.68 -3.74 48.66 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -59.87 -30.84 69.26 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.239 0.543 . . . . 0.0 109.979 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -116.48 7.25 13.71 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.175 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.79 -138.87 2.5 Favored Glycine 0 C--O 1.224 -0.478 0 C-N-CA 119.639 -1.267 . . . . 0.0 113.91 -176.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.582 ' OE2' ' HA ' ' A' ' 66' ' ' ILE . 44.1 tt0 -143.43 142.66 31.3 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -177.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.784 HG12 ' HB2' ' A' ' 31' ' ' ALA . 8.7 mm -123.44 -80.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.392 -178.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 20' ' ' GLU . 4.2 mp -114.61 -175.65 2.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.985 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -95.22 -177.49 4.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.899 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.2 t70 70.38 83.36 0.15 Allowed 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.719 0.771 . . . . 0.0 109.402 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -104.91 -60.15 1.64 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.326 -0.852 . . . . 0.0 113.27 -171.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 54.62 -128.38 2.25 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -171.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.8 m -78.87 88.29 4.69 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 173.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.543 ' HB2' ' NH2' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -70.03 -58.25 4.05 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -172.322 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.508 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 95.5 mt -131.28 -51.19 1.01 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 120.965 0.412 . . . . 0.0 110.54 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.73 104.97 1.93 Allowed Glycine 0 N--CA 1.438 -1.175 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.591 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 76.54 -41.05 0.4 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.784 0.834 . . . . 0.0 112.667 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.9 p -83.53 7.71 16.31 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.118 0.961 . . . . 0.0 110.855 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.64 -31.75 70.95 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.309 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.9 p -84.36 10.68 10.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.688 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 86.1 mtp -105.66 6.74 32.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.543 ' NH2' ' HB2' ' A' ' 43' ' ' GLU . 93.2 mtt-85 -82.76 107.5 15.43 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.861 -175.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.0 p 46.32 88.73 0.1 OUTLIER Pre-proline 0 N--CA 1.476 0.868 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.88 118.47 5.35 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.318 2.012 . . . . 0.0 111.888 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.26 -36.43 3.06 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.655 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -131.61 93.55 3.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.07 0.462 . . . . 0.0 111.147 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -107.46 160.61 15.52 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.433 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -122.08 168.44 11.95 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.663 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.87 172.65 12.68 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' ' 60' ' ' ALA . 37.6 tt0 -88.25 -138.41 0.11 Allowed 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.528 ' HB1' ' HD2' ' A' ' 61' ' ' PRO . . . 71.36 164.35 0.14 Allowed Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 122.691 0.396 . . . . 0.0 110.749 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.528 ' HD2' ' HB1' ' A' ' 60' ' ' ALA . 25.0 Cg_endo -61.83 151.02 83.58 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 121.94 1.76 . . . . 0.0 111.92 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.2 m120 64.92 25.33 12.77 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.453 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.673 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -78.72 -22.98 45.78 Favored 'General case' 0 CA--C 1.486 -1.488 0 CA-C-O 121.118 0.485 . . . . 0.0 110.566 178.777 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.673 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 1.2 mmp_? 59.0 176.7 0.07 Allowed 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.718 -173.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.96 146.08 47.49 Favored 'General case' 0 C--N 1.278 -2.525 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 174.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.608 HG12 ' H ' ' A' ' 68' ' ' ARG . 20.3 tt 53.53 122.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.559 1.144 . . . . 0.0 113.025 -175.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.9 m -76.24 -2.31 30.76 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.833 -175.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.608 ' H ' HG12 ' A' ' 66' ' ' ILE . 43.0 mtm-85 -126.1 155.67 41.24 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.944 -178.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -74.23 125.5 28.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.932 0.396 . . . . 0.0 110.142 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -123.1 166.99 14.25 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.985 -177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.4 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -100.26 -150.46 24.77 Favored Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.524 ' NH2' ' HB2' ' A' ' 117' ' ' GLU . 89.5 mtm-85 -89.61 -55.95 3.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.973 0.416 . . . . 0.0 111.632 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 p -112.12 11.55 20.4 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.44 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.4 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 67.9 p-90 -139.58 148.37 42.44 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.241 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 t -143.33 147.52 34.83 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.435 ' HE3' ' HB3' ' A' ' 68' ' ' ARG . 65.7 pttt -95.79 133.55 39.78 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.264 -0.575 . . . . 0.0 109.94 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.9 mt -104.9 116.25 31.67 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.278 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.8 m -110.68 111.48 22.7 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.457 ' HB3' ' OG ' ' A' ' 84' ' ' SER . 53.8 m-85 -101.06 -2.24 32.11 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -177.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 67.44 -55.47 0.47 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.546 0.738 . . . . 0.0 112.261 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -83.63 141.83 31.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.891 0.377 . . . . 0.0 110.454 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 85' ' ' TYR . 48.9 t60 -66.85 -34.09 77.04 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.672 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.2 p -60.84 -46.92 88.65 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.499 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.457 ' OG ' ' HB3' ' A' ' 79' ' ' TYR . 8.3 p -74.44 -32.34 62.59 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 177.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.427 ' HB3' ' HA ' ' A' ' 82' ' ' HIS . 45.5 t80 -59.39 -48.05 83.12 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.624 178.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 89' ' ' LEU . 51.2 tp -63.28 -39.06 93.53 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-O 120.747 0.308 . . . . 0.0 111.534 -177.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.519 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 77.9 mtt85 -68.39 -18.24 64.41 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.66 -12.58 60.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.833 0.349 . . . . 0.0 111.025 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 4.0 mm? -70.29 -3.94 19.59 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.55 0.74 . . . . 0.0 112.898 -178.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 87' ' ' ARG . 44.2 mmt180 -31.37 100.03 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.006 0.922 . . . . 0.0 113.469 -179.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -165.24 78.3 0.3 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -128.42 37.46 4.13 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.62 23.42 50.44 Favored Glycine 0 N--CA 1.439 -1.107 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -175.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.509 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 25.0 m -65.29 106.13 1.28 Allowed 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.143 -0.529 . . . . 0.0 110.464 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 86.5 mt -93.09 120.63 42.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.157 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.438 ' HD1' ' HG ' ' A' ' 97' ' ' CYS . 11.3 t80 -142.54 135.27 28.14 Favored 'General case' 0 N--CA 1.438 -1.074 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.438 ' HG ' ' HD1' ' A' ' 96' ' ' TYR . 98.1 m 69.41 16.63 8.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.895 0.379 . . . . 0.0 111.511 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.33 -9.24 53.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.853 -0.689 . . . . 0.0 113.931 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -145.37 161.25 40.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.089 0.445 . . . . 0.0 110.696 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -74.98 132.17 41.18 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.154 177.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 41.5 pt -87.19 131.79 34.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.923 0.392 . . . . 0.0 110.456 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.66 124.4 8.22 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.67 -176.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 34.8 t -125.19 126.35 45.09 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.942 0.401 . . . . 0.0 110.814 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.411 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 19.7 m -141.66 158.12 63.59 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 22.1 Cg_endo -61.22 152.5 71.62 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.452 2.101 . . . . 0.0 111.568 178.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -58.78 117.83 5.04 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.217 0.532 . . . . 0.0 111.102 -177.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.554 ' O ' HG12 ' A' ' 111' ' ' ILE . 98.1 mttt -131.0 139.08 49.93 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.089 177.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -60.43 -41.02 93.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.779 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -63.59 -42.2 98.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.955 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.525 ' O ' HD13 ' A' ' 114' ' ' LEU . 34.7 tp -61.14 -45.35 95.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.238 0.542 . . . . 0.0 110.019 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 107' ' ' LYS . 47.0 mm -62.75 -43.33 98.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.57 -179.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.3 m -61.04 -46.55 90.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.873 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.9 -47.2 75.58 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.132 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 110' ' ' LEU . 10.9 mp -64.32 -41.87 96.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 59.3 m -63.78 -41.91 97.85 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.973 0.416 . . . . 0.0 111.317 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -71.54 -22.62 61.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.972 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.524 ' HB2' ' NH2' ' A' ' 72' ' ' ARG . 0.7 OUTLIER 62.76 69.05 0.61 Allowed 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.822 -179.025 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -82.04 73.21 2.67 Favored Glycine 0 N--CA 1.438 -1.211 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.621 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -65.31 -42.99 92.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -73.47 -31.6 63.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.837 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -60.24 -51.78 68.09 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.163 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 177.24 110.83 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.477 0.486 . . . . 0.0 110.98 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -113.83 -37.77 4.43 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.186 0.517 . . . . 0.0 110.204 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.252 1.21 0 CA-C-O 118.56 -0.733 . . . . 0.0 109.464 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mmm . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -63.34 158.14 21.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.729 0.299 . . . . 0.0 111.072 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.13 131.67 47.15 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.618 -178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.58 -100.27 2.62 Favored Glycine 0 N--CA 1.438 -1.214 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -132.91 150.05 52.19 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -87.55 70.41 9.8 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.9 t 71.71 85.93 0.12 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.062 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -70.62 -54.8 10.57 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.862 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.8 m 60.26 84.6 0.12 Allowed 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.381 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.77 -90.52 0.74 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.628 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -90.03 2.51 55.1 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.52 130.51 37.06 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.787 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -126.06 160.1 33.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.6 t -112.64 118.03 56.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.457 HG12 ' HE2' ' A' ' 18' ' ' TYR . 45.3 t -113.89 126.38 71.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -142.36 168.83 18.8 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.391 -177.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.58 -11.35 10.37 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.195 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.457 ' HE2' HG12 ' A' ' 15' ' ' VAL . 37.4 p90 -113.74 -172.38 2.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.438 0.161 . . . . 0.0 110.863 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.607 ' O ' HG13 ' A' ' 22' ' ' ILE . 23.0 ptt180 -135.72 173.67 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.896 0.379 . . . . 0.0 111.29 -176.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.5 -38.61 84.57 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.387 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.6 -14.06 48.02 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -174.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.607 HG13 ' O ' ' A' ' 19' ' ' ARG . 2.6 pp -97.29 27.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 122.108 -0.37 . . . . 0.0 111.46 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.639 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 30.6 m -44.26 -71.45 0.08 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HE2' ' HB3' ' A' ' 40' ' ' LEU . 3.6 mptp? -60.13 -29.48 68.66 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -176.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.451 ' HB3' ' CE1' ' A' ' 96' ' ' TYR . 81.1 mt-30 -60.77 -71.36 0.14 Allowed 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -177.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.492 HG22 HG21 ' A' ' 36' ' ' ILE . 27.3 mt -68.89 -23.41 27.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 CA-C-O 120.92 0.39 . . . . 0.0 111.744 -179.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 23' ' ' THR . 25.9 tp -58.81 -46.49 87.49 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.289 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.01 70.23 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.48 ' HD2' ' CD2' ' A' ' 30' ' ' PHE . 86.6 t80 -85.64 -48.27 9.04 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CD2' ' HD2' ' A' ' 29' ' ' TYR . 24.0 m-85 -85.8 -3.85 59.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -177.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -38.19 -29.32 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.732 1.213 . . . . 0.0 114.073 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -56.96 -30.18 63.85 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.084 0.468 . . . . 0.0 110.866 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.449 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 96.5 m-85 -88.85 -43.79 10.95 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.976 178.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.491 ' O ' HG12 ' A' ' 36' ' ' ILE . . . 114.42 -95.81 0.75 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.643 -0.789 . . . . 0.0 114.102 175.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.549 ' O ' HD22 ' A' ' 77' ' ' LEU . 9.4 pt-20 -59.69 114.61 2.84 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-O 120.845 0.355 . . . . 0.0 111.607 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.492 HG21 HG22 ' A' ' 26' ' ' ILE . 37.2 mm -134.4 -63.47 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 121.308 0.575 . . . . 0.0 110.543 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.528 ' CD1' ' HA ' ' A' ' 23' ' ' THR . 71.3 mt -132.33 -167.03 1.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.079 -177.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -59.78 -42.72 93.98 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.501 0.501 . . . . 0.0 111.551 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.479 ' OD1' HD21 ' A' ' 27' ' ' LEU . 21.9 t70 71.78 171.79 0.31 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.623 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.478 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 40.8 tp -115.33 -79.52 0.59 Allowed 'General case' 0 N--CA 1.433 -1.314 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.586 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -150.64 -40.42 0.13 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.956 0.408 . . . . 0.0 110.974 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -121.1 154.22 36.43 Favored 'General case' 0 N--CA 1.422 -1.841 0 CA-C-O 121.312 0.577 . . . . 0.0 109.723 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.478 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 43.6 tt0 -132.35 -57.92 0.95 Allowed 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.575 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.0 mt -105.15 -22.05 13.15 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.996 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.91 -33.36 5.79 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -143.44 158.65 43.47 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.4 t 50.11 23.34 1.11 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.093 0.957 . . . . 0.0 112.437 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -89.76 13.42 14.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.526 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.9 p -69.47 -32.97 72.2 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.072 0.463 . . . . 0.0 110.771 176.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 27.4 ttt -98.8 97.89 9.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.146 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.557 ' NH2' HD11 ' A' ' 27' ' ' LEU . 79.6 mtp180 -133.07 14.22 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.223 0.535 . . . . 0.0 110.016 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -155.89 163.3 25.21 Favored Pre-proline 0 C--N 1.311 -1.094 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.553 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -67.92 -16.24 45.11 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.458 2.105 . . . . 0.0 112.327 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.54 139.16 3.74 Favored Glycine 0 N--CA 1.417 -2.592 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 77.09 167.89 0.24 Allowed 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 124.165 0.986 . . . . 0.0 110.925 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -99.44 -179.76 4.32 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.212 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -95.04 141.37 28.76 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.435 ' HB2' HH21 ' A' ' 65' ' ' ARG . 97.7 mt-30 -111.73 116.93 31.54 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -64.29 -39.86 94.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.714 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 61' ' ' PRO . . . 65.57 161.18 0.13 Allowed Pre-proline 0 CA--C 1.548 0.867 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.173 -179.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 60' ' ' ALA . 53.7 Cg_endo -70.78 91.32 0.61 Allowed 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 121.82 1.68 . . . . 0.0 112.411 178.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.0 t30 56.94 54.76 6.74 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.704 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -132.49 149.56 52.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.663 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -94.48 18.9 10.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.174 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.435 HH21 ' HB2' ' A' ' 58' ' ' GLN . 0.7 OUTLIER -100.69 102.88 14.1 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.975 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.667 HG13 ' H ' ' A' ' 68' ' ' ARG . 29.1 pt -65.89 -45.49 91.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.131 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.552 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 22.2 t 155.96 -35.47 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.667 ' H ' HG13 ' A' ' 66' ' ' ILE . 12.1 mmm180 -80.93 152.87 27.84 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.209 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -74.28 125.73 29.08 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.84 -176.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -152.38 168.27 25.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.767 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.46 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -99.71 -78.82 1.4 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.193 -1.003 . . . . 0.0 112.147 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.505 HH21 ' CD ' ' A' ' 117' ' ' GLU . 29.9 ttp85 -169.8 -56.18 0.02 OUTLIER 'General case' 0 CA--C 1.495 -1.157 0 CA-C-O 121.603 0.716 . . . . 0.0 109.741 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.8 p -103.72 2.52 33.13 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.924 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.46 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 59.5 p-90 -142.11 144.18 33.39 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.414 -1.266 . . . . 0.0 108.891 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.5 m -126.29 126.85 44.65 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -84.96 108.25 17.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.549 HD22 ' O ' ' A' ' 35' ' ' GLU . 31.9 mt -92.77 116.57 29.14 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.064 -174.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.3 m -112.86 113.3 25.31 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.992 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -104.01 -15.52 15.58 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.08 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.06 6.07 5.43 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.233 0.613 . . . . 0.0 110.901 -176.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -127.32 142.89 51.33 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.723 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.51 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 69.6 t60 -87.78 -24.03 23.89 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.2 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.5 t -63.44 -41.49 98.66 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.061 0.457 . . . . 0.0 110.901 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.7 p -67.78 -20.05 65.16 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.574 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.51 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 57.9 t80 -60.0 -49.82 76.15 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.431 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.57 -41.32 88.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.109 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -63.75 -43.52 96.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.613 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.449 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -81.34 -12.87 58.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.79 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 85' ' ' TYR . 27.4 tp -67.15 -8.13 28.72 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.106 0.562 . . . . 0.0 112.222 -175.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.522 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 32.4 ptt-85 -72.72 87.89 1.28 Allowed 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -176.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -83.57 -35.66 24.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.45 0.643 . . . . 0.0 110.048 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -83.0 127.41 33.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.449 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.45 -4.66 66.97 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.822 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 m -109.78 87.57 2.54 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-O 121.249 0.547 . . . . 0.0 110.547 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.5 mt -112.39 118.84 58.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.937 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.451 ' CE1' ' HB3' ' A' ' 25' ' ' GLN . 12.6 t80 -126.46 134.32 50.99 Favored 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.8 t 62.13 25.46 15.25 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.222 0.534 . . . . 0.0 111.061 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.51 19.12 66.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.172 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -142.91 149.41 38.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.848 0.356 . . . . 0.0 111.084 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.44 126.41 41.61 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 46.1 pt -85.73 134.67 26.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-O 120.986 0.422 . . . . 0.0 110.22 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -99.21 110.96 4.11 Favored Glycine 0 N--CA 1.436 -1.332 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.51 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 35.6 m -104.88 101.38 10.97 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.7 m -124.61 157.92 63.84 Favored Pre-proline 0 C--N 1.311 -1.095 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.927 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -61.8 153.2 69.51 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 122.431 2.088 . . . . 0.0 111.086 177.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -61.78 98.7 0.1 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.222 0.534 . . . . 0.0 111.379 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.475 ' O ' HG12 ' A' ' 111' ' ' ILE . 68.2 mttm -97.98 129.55 44.86 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.472 177.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -65.8 -42.42 90.74 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -68.97 -35.22 76.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.649 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 52.0 tp -61.91 -39.8 93.28 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.858 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 107' ' ' LYS . 36.7 mm -61.56 -43.83 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.945 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.3 m -59.81 -41.28 90.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.928 0.394 . . . . 0.0 110.256 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 42.7 mm-40 -62.26 -44.77 95.78 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 4.0 pp -88.83 -13.99 38.02 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 -176.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 66.4 m -82.72 -8.82 59.57 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 113' ' ' GLU . 16.7 ptt-85 -77.34 7.08 5.71 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 119.992 -0.683 . . . . 0.0 111.833 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.505 ' CD ' HH21 ' A' ' 72' ' ' ARG . 45.2 tt0 -80.72 82.51 6.7 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 121.663 0.744 . . . . 0.0 109.362 177.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 176.1 -136.3 3.23 Favored Glycine 0 C--N 1.296 -1.663 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.634 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -134.39 140.64 46.44 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 120.857 0.361 . . . . 0.0 111.026 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -117.63 90.76 3.4 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.498 0.666 . . . . 0.0 109.956 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -135.19 8.56 3.45 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.352 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -87.8 130.58 34.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.053 0.454 . . . . 0.0 110.939 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -118.51 153.57 33.96 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.198 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 . . . . . 0 C--O 1.251 1.155 0 O-C-N 123.53 0.519 . . . . 0.0 110.593 -177.696 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.3 mtm . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m 51.79 68.42 0.81 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.706 0.629 . . . . 0.0 112.164 177.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.98 -40.1 87.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.679 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.58 165.58 10.47 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -146.09 151.64 38.02 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 120.832 0.349 . . . . 0.0 110.128 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -90.08 11.74 19.87 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 121.082 0.468 . . . . 0.0 110.419 176.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 m -76.9 -3.3 37.94 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 122.266 1.031 . . . . 0.0 109.004 175.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.729 ' OE1' ' HA ' ' A' ' 107' ' ' LYS . 34.2 mm-40 -103.32 101.06 10.97 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 113.618 -1.628 . . . . 0.0 106.8 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.2 p -51.82 -45.66 64.02 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.7 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.92 -42.26 2.05 Favored Glycine 0 C--O 1.221 -0.666 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.274 177.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -63.23 -38.74 92.34 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.077 0.465 . . . . 0.0 110.716 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.3 143.98 30.91 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.648 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 76' ' ' LYS . 28.4 m -120.36 156.81 23.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 120.876 0.37 . . . . 0.0 110.794 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.4 t -110.23 118.0 56.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.8 t -110.19 128.63 66.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -143.77 168.82 19.02 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.871 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.38 6.73 56.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.768 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.517 ' HB2' HD11 ' A' ' 22' ' ' ILE . 47.3 p90 -106.46 156.76 18.21 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.886 0.374 . . . . 0.0 110.264 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.8 ttm-85 -108.4 148.56 29.95 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.577 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -74.75 67.36 1.59 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.691 0.757 . . . . 0.0 110.226 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.5 -36.09 0.13 Allowed 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.126 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.517 HD11 ' HB2' ' A' ' 18' ' ' TYR . 2.4 pp -82.86 30.2 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.204 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.721 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 55.9 m -46.71 -76.68 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -174.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -18.45 61.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.947 0.403 . . . . 0.0 111.269 -176.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.482 ' HB3' ' OH ' ' A' ' 96' ' ' TYR . 22.5 mp0 -63.62 -48.55 76.88 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.457 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.5 tt -96.49 -14.79 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-O 121.156 0.503 . . . . 0.0 110.86 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.721 ' HB2' ' O ' ' A' ' 23' ' ' THR . 11.4 tp -61.58 -41.88 98.06 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.755 -177.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -12.74 60.43 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -94.78 -63.35 1.18 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.795 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -89.63 -35.78 15.65 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.849 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -65.57 -8.45 20.02 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -171.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -61.43 -25.52 67.26 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 120.653 0.263 . . . . 0.0 111.086 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -128.63 15.99 6.46 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.365 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.849 ' O ' ' HA ' ' A' ' 31' ' ' ALA . . . 171.26 125.88 0.84 Allowed Glycine 0 C--O 1.22 -0.755 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.625 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -59.73 141.9 54.24 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.089 0.404 . . . . 0.0 112.089 -178.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.8 mm -110.58 -60.06 3.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.574 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 23' ' ' THR . 5.8 mp -105.14 169.73 8.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.216 0.532 . . . . 0.0 111.796 -178.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.56 ' OE1' ' HA ' ' A' ' 64' ' ' ARG . 52.6 mt-10 -83.24 -22.63 33.05 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.807 -178.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.508 ' HB3' HG21 ' A' ' 23' ' ' THR . 32.8 t70 -82.76 145.68 29.41 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.594 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tt -172.07 109.75 0.25 Allowed 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -178.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -128.77 -73.4 0.58 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.659 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 p -122.48 108.72 13.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.852 0.358 . . . . 0.0 110.572 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -126.93 -66.58 0.89 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.769 -179.463 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.425 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 63.6 mt -99.72 -51.72 3.66 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 121.215 0.531 . . . . 0.0 110.479 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.84 -16.85 54.05 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.955 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -162.51 179.51 7.72 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.098 0.559 . . . . 0.0 109.963 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.536 ' O ' HG22 ' A' ' 47' ' ' THR . 27.4 m 71.08 26.59 3.47 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 122.109 0.957 . . . . 0.0 111.256 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -67.64 -27.4 66.84 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.571 176.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.3 p -64.72 -30.68 71.7 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.325 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.2 ttp -108.06 86.8 2.36 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -142.14 -83.91 0.18 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.938 -177.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -118.44 141.83 30.37 Favored Pre-proline 0 C--N 1.291 -1.955 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.25 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -61.51 119.5 6.66 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.092 1.861 . . . . 0.0 110.962 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.59 59.84 5.84 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.693 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -76.38 132.51 39.77 Favored 'General case' 0 N--CA 1.425 -1.681 0 CA-C-O 121.411 0.624 . . . . 0.0 110.915 -178.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -167.89 -70.56 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.756 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.1 p90 42.56 27.71 0.1 Allowed 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 70.39 -44.76 0.58 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.013 0.925 . . . . 0.0 112.019 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 62.6 31.54 16.81 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.913 0.863 . . . . 0.0 109.479 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.87 149.73 97.8 Favored Pre-proline 0 N--CA 1.447 -0.605 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.555 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.44 -29.19 83.64 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.599 2.2 . . . . 0.0 111.871 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -117.06 35.81 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.886 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.634 HH21 ' HA ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -62.28 137.83 58.32 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.188 0.518 . . . . 0.0 111.198 178.496 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.604 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 1.7 mmp_? -114.65 9.15 16.44 Favored 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.7 178.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -143.63 148.07 35.28 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.643 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.709 HG13 ' H ' ' A' ' 68' ' ' ARG . 7.7 pt -100.08 -157.93 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 177.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.417 ' N ' HG13 ' A' ' 66' ' ' ILE . 49.8 m -58.02 -19.6 32.42 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 121.156 0.503 . . . . 0.0 111.3 177.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.709 ' H ' HG13 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -136.4 157.03 47.77 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 178.724 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.21 153.21 39.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.642 0.258 . . . . 0.0 111.063 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.496 ' HB2' ' HA ' ' A' ' 75' ' ' THR . 51.6 p-80 -156.61 -177.88 6.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.016 -177.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.96 -159.1 9.47 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -76.04 128.73 35.63 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.934 0.397 . . . . 0.0 111.032 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.0 p 57.9 10.03 1.04 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 55.6 p-90 -143.79 140.34 29.84 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 120.746 0.307 . . . . 0.0 110.672 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.496 ' HA ' ' HB2' ' A' ' 70' ' ' HIS . 12.0 t -142.5 147.75 36.54 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.015 0.436 . . . . 0.0 111.098 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 21.9 ptmt -109.48 118.59 37.02 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 176.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -126.14 148.29 49.43 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.31 0.576 . . . . 0.0 111.817 -176.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.2 m -111.67 117.67 33.53 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -86.47 -16.93 35.56 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.359 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.44 -63.82 0.41 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.651 0.781 . . . . 0.0 111.243 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -73.61 136.19 43.9 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.159 0.504 . . . . 0.0 111.041 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.474 ' HA ' ' HB3' ' A' ' 85' ' ' TYR . 47.0 p-80 -68.66 -27.64 66.18 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.148 -178.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 m -60.65 -47.22 87.2 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.038 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -72.64 -35.01 67.67 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.362 0.601 . . . . 0.0 110.244 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.474 ' HB3' ' HA ' ' A' ' 82' ' ' HIS . 59.4 t80 -60.42 -52.38 65.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.494 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.5 tp -63.67 -36.77 84.94 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 121.13 0.491 . . . . 0.0 111.022 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.92 -25.42 67.57 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.675 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.83 -11.66 59.56 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.198 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.99 -7.0 52.37 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -68.24 118.53 11.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.088 0.47 . . . . 0.0 110.938 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -141.87 4.42 1.68 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.201 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -64.82 -45.85 84.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -144.19 26.42 2.02 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 119.963 -1.113 . . . . 0.0 112.991 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.3 m -89.61 97.92 11.47 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.408 0.623 . . . . 0.0 110.506 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 78.1 mt -114.25 127.61 71.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.125 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.482 ' OH ' ' HB3' ' A' ' 25' ' ' GLN . 10.7 t80 -140.23 139.98 35.72 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.3 t 72.54 17.93 4.52 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.326 0.584 . . . . 0.0 110.59 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.1 0.06 66.14 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.516 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.406 ' C ' HG23 ' A' ' 95' ' ' ILE . . . -145.43 153.09 40.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.975 0.387 . . . . 0.0 111.133 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -69.94 137.77 51.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.006 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.4 pt -90.12 138.24 19.84 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.132 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.65 119.11 6.36 Favored Glycine 0 N--CA 1.434 -1.461 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.438 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 49.7 t -130.74 117.76 19.88 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.9 m -140.89 158.65 64.64 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.774 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.44 149.47 90.75 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.223 1.949 . . . . 0.0 111.225 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -53.68 126.75 23.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.731 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.729 ' HA ' ' OE1' ' A' ' 8' ' ' GLU . 68.2 mttm -129.79 127.1 39.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.622 177.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -61.09 -41.37 96.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.314 0.578 . . . . 0.0 110.197 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.77 -41.72 95.64 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.908 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.46 -42.05 99.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.52 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 107' ' ' LYS . 46.3 mm -61.97 -41.52 91.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.85 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.9 m -59.08 -43.41 91.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.293 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -65.62 -44.18 87.27 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.63 0.252 . . . . 0.0 110.735 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.31 -42.3 99.0 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.6 p -68.72 -40.5 79.9 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.641 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -79.08 -23.28 44.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.87 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 14.2 tp10 68.8 8.73 6.96 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.464 0.706 . . . . 0.0 111.303 178.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 73.13 51.06 10.66 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.276 -0.964 . . . . 0.0 111.89 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -58.96 -42.01 88.88 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.524 0.202 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -85.45 108.21 17.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.319 0.58 . . . . 0.0 109.743 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -149.49 146.37 27.37 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.286 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -72.09 99.1 2.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.071 0.462 . . . . 0.0 110.7 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -171.14 119.64 0.5 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.379 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 10.0 p80 . . . . . 0 C--N 1.312 -1.023 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.348 179.164 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tmt? . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 120.669 0.271 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 t -71.12 -26.52 63.06 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.87 -43.06 99.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.057 0.456 . . . . 0.0 109.897 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.93 88.21 0.1 Allowed Glycine 0 N--CA 1.436 -1.314 0 C-N-CA 120.067 -1.063 . . . . 0.0 112.702 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m -71.56 135.84 47.2 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -102.6 72.02 1.22 Allowed 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 121.279 0.561 . . . . 0.0 110.218 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.6 m -84.58 7.0 21.58 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.815 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -91.98 6.7 45.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.784 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.0 m 71.85 -58.51 0.58 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.17 0.988 . . . . 0.0 111.358 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.79 -56.0 5.03 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 114.607 0.603 . . . . 0.0 114.607 176.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -87.97 9.0 23.73 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -175.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.65 138.41 53.94 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 76' ' ' LYS . 27.7 m -124.06 156.64 31.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 120.985 0.421 . . . . 0.0 110.966 -178.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.506 HG23 ' HA ' ' A' ' 106' ' ' TYR . 59.6 t -111.87 111.55 36.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.283 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 176.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.473 HG12 ' HE2' ' A' ' 18' ' ' TYR . 10.4 t -100.19 127.63 52.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -144.06 165.23 28.37 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.983 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.09 -11.2 10.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.357 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.473 ' HE2' HG12 ' A' ' 15' ' ' VAL . 23.8 p90 -107.54 163.21 13.26 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.499 0.19 . . . . 0.0 111.219 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -85.07 -86.59 0.13 Allowed 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -175.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -165.16 -65.91 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 111.093 -174.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.33 8.13 2.41 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.79 -177.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.448 HG12 ' HB2' ' A' ' 18' ' ' TYR . 2.9 pp -84.5 1.87 4.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.555 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.408 HG21 ' O ' ' A' ' 39' ' ' ASP . 10.9 m -59.39 -45.89 90.22 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -51.85 -35.02 43.23 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.245 0.545 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.567 ' HB3' ' OH ' ' A' ' 96' ' ' TYR . 98.4 mt-30 -77.68 -62.18 1.75 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.991 -178.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.0 tt -66.77 -27.33 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -175.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.98 -33.41 74.26 Favored 'General case' 0 C--O 1.203 -1.345 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.223 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.7 -36.92 58.1 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -89.92 -45.94 8.88 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -83.38 -7.06 59.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -173.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.16 -25.73 61.85 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.553 0.216 . . . . 0.0 111.431 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -62.05 -33.45 74.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.152 0.501 . . . . 0.0 110.259 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -76.7 -48.62 18.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.772 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.66 -139.84 6.78 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 119.862 -1.161 . . . . 0.0 113.97 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.438 ' OE1' ' HA ' ' A' ' 66' ' ' ILE . 13.7 pt-20 -86.74 148.92 25.22 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.898 0.879 . . . . 0.0 111.692 -176.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.3 mt -137.35 -76.09 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 120.786 0.327 . . . . 0.0 111.544 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mp -98.37 169.63 9.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.364 0.602 . . . . 0.0 112.337 -177.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -69.77 -36.59 75.88 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.63 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' O ' HG21 ' A' ' 23' ' ' THR . 32.9 t70 -80.45 110.46 15.93 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.691 -178.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.7 mt -126.58 -71.24 0.69 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.406 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 65.01 -70.39 0.09 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.501 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.8 m -123.75 113.3 18.41 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -91.07 -74.07 0.51 Allowed 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.732 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.2 mt -126.93 -51.88 1.44 Allowed 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.63 -50.16 3.48 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.296 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -77.85 -69.71 0.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.436 ' C ' ' H ' ' A' ' 49' ' ' THR . 16.2 m -79.59 -91.31 0.05 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 121.364 -0.134 . . . . 0.0 110.996 -179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 65.48 -37.08 0.24 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.868 0.867 . . . . 0.0 113.218 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.436 ' H ' ' C ' ' A' ' 47' ' ' THR . 28.8 p -77.86 -1.98 34.37 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 123.526 0.73 . . . . 0.0 112.331 -176.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.7 tpt -125.7 76.43 1.57 Allowed 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -150.09 168.2 24.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.406 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.445 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 32.9 p 58.94 159.93 0.1 OUTLIER Pre-proline 0 N--CA 1.482 1.165 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 175.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' A' ' 52' ' ' THR . 61.6 Cg_endo -81.69 93.4 0.96 Allowed 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 122.012 1.808 . . . . 0.0 113.157 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.9 -54.09 4.8 Favored Glycine 0 CA--C 1.523 0.575 0 CA-C-N 115.986 -0.552 . . . . 0.0 114.33 175.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -123.6 139.86 53.58 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-O 121.538 0.685 . . . . 0.0 112.274 -176.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -88.0 176.92 7.1 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.12 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -100.91 144.68 29.56 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.552 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -85.31 145.03 27.72 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.12 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -64.12 -30.54 71.6 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.373 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 72.64 142.9 0.09 OUTLIER Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 114.281 -1.327 . . . . 0.0 112.449 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.37 -12.52 27.46 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.74 2.293 . . . . 0.0 111.638 178.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -107.63 -80.59 0.57 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.189 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -139.78 152.24 46.42 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 121.531 0.681 . . . . 0.0 112.115 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -69.29 139.85 54.37 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.822 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -141.9 151.15 42.39 Favored 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.474 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.439 HG12 ' H ' ' A' ' 68' ' ' ARG . 4.5 tt -88.72 137.4 21.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.24 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 m -59.51 -38.47 81.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.111 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.439 ' H ' HG12 ' A' ' 66' ' ' ILE . 26.5 mmt180 -98.19 159.4 14.96 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.723 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -71.74 130.35 40.89 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.208 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.0 p-80 -123.91 144.8 49.55 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.115 0.483 . . . . 0.0 111.494 -177.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.406 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -98.0 -163.58 31.09 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.644 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -78.48 -54.03 6.59 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.2 p -114.11 8.83 17.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 121.258 0.552 . . . . 0.0 111.504 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.406 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 65.0 p-90 -137.26 146.52 44.83 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.26 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.7 m -127.53 127.23 43.62 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.969 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 39.6 ttpt -91.01 116.77 29.06 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -112.56 129.1 56.48 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.8 m -110.6 111.09 22.08 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -88.78 -23.36 22.9 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.54 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.88 -61.72 0.44 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.747 0.819 . . . . 0.0 111.227 -178.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -75.74 130.91 39.41 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.083 0.468 . . . . 0.0 110.205 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -77.47 -13.55 59.89 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.413 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.7 m -59.1 -45.34 91.14 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.267 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -93.2 -14.46 27.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.07 0.462 . . . . 0.0 111.031 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -60.7 -47.52 85.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.668 -177.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.6 mp -63.33 -38.65 91.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -60.11 -43.59 95.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.357 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.72 -12.84 58.45 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.844 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.1 tp -67.06 -6.86 19.04 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.013 0.525 . . . . 0.0 112.398 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -66.36 105.97 1.59 Allowed 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.544 0.688 . . . . 0.0 112.186 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.07 7.42 18.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.662 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -123.47 142.85 50.59 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.953 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.02 32.37 83.96 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.333 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.5 m -135.96 91.93 2.75 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 121.237 0.541 . . . . 0.0 110.887 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.522 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 98.0 mt -113.47 125.74 70.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.939 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.567 ' OH ' ' HB3' ' A' ' 25' ' ' GLN . 42.2 t80 -136.92 140.81 42.56 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.293 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.6 t 70.42 -15.39 0.36 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.61 0.764 . . . . 0.0 112.388 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.07 -18.97 2.91 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.687 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.04 155.7 45.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.707 0.289 . . . . 0.0 110.949 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -73.79 134.66 43.43 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.166 177.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.7 pt -91.59 120.42 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.457 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -99.36 111.94 4.34 Favored Glycine 0 N--CA 1.431 -1.693 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.169 -177.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 48.0 t -113.08 103.29 11.22 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.438 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 13.6 m -132.9 161.71 61.99 Favored Pre-proline 0 C--N 1.316 -0.871 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.306 -178.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.438 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 16.2 Cg_endo -58.8 151.83 61.49 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.218 1.945 . . . . 0.0 111.563 178.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.506 ' HA ' HG23 ' A' ' 14' ' ' VAL . 83.2 t80 -34.83 -67.26 0.15 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -174.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 63.24 124.56 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.718 0.77 . . . . 0.0 112.535 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -67.4 -44.26 79.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.815 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -69.37 -34.22 74.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.147 -178.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.438 ' O ' HD13 ' A' ' 114' ' ' LEU . 46.0 tp -61.06 -41.69 97.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.818 -177.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.8 mm -61.65 -43.57 97.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.1 m -60.94 -40.82 94.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.07 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -64.05 -43.06 96.68 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.272 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 110' ' ' LEU . 10.8 mp -74.42 -9.77 58.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.004 0.43 . . . . 0.0 111.817 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 53.0 m -86.21 2.21 47.88 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.655 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -62.6 -13.58 32.99 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.961 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -78.49 -4.92 50.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.433 0.635 . . . . 0.0 110.658 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -135.67 85.81 0.25 Allowed Glycine 0 N--CA 1.44 -1.098 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.765 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -74.76 154.57 38.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.949 0.404 . . . . 0.0 111.515 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -70.88 169.21 15.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.111 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -79.8 -55.54 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.763 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -153.86 153.57 32.34 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -177.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -62.0 -33.14 73.79 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.313 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 69.8 m80 . . . . . 0 C--O 1.254 1.316 0 CA-C-O 118.608 -0.71 . . . . 0.0 109.537 179.173 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t 66.45 93.25 0.07 Allowed 'General case' 0 C--O 1.232 0.162 0 O-C-N 123.788 0.68 . . . . 0.0 111.106 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.9 mt -87.58 -16.61 34.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.105 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.92 -63.22 3.53 Favored Glycine 0 C--O 1.238 0.368 0 CA-C-N 115.463 -0.79 . . . . 0.0 113.771 175.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m 70.51 162.67 0.24 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.472 0.709 . . . . 0.0 110.704 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -88.04 -39.96 14.23 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 62.3 m -167.72 100.29 0.48 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 -176.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -81.16 -4.76 56.44 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.279 0.562 . . . . 0.0 110.786 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.6 p -78.94 -19.38 51.9 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.316 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.62 -123.16 7.44 Favored Glycine 0 N--CA 1.43 -1.751 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.359 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -119.65 22.68 11.53 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.88 0.371 . . . . 0.0 110.793 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.91 131.88 34.2 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.087 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.96 162.43 37.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.564 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.4 t -116.25 119.58 62.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.394 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.509 HG12 ' HE2' ' A' ' 18' ' ' TYR . 21.3 t -104.88 128.36 58.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -136.69 165.9 24.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.202 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.81 -6.97 13.48 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.54 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.556 ' HB2' HD11 ' A' ' 22' ' ' ILE . 32.1 p90 -115.1 175.49 5.48 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.043 0.449 . . . . 0.0 111.698 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -123.04 151.15 42.21 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.158 -177.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.612 ' HA ' HD21 ' A' ' 37' ' ' LEU . 40.3 tt0 -67.41 77.39 0.17 Allowed 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.193 176.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -175.07 -30.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.628 HD12 ' HB ' ' A' ' 26' ' ' ILE . 5.4 pt -87.12 34.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.561 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.398 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.645 HG21 ' HB2' ' A' ' 39' ' ' ASP . 6.4 m -59.48 -52.8 64.01 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -64.46 -34.98 79.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.852 0.358 . . . . 0.0 111.763 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -62.81 -68.87 0.3 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.091 -177.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.628 ' HB ' HD12 ' A' ' 22' ' ' ILE . 14.6 tt -69.87 -30.17 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.325 -174.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HG ' ' HB2' ' A' ' 31' ' ' ALA . 35.4 tp -64.08 -32.66 74.3 Favored 'General case' 0 C--O 1.203 -1.382 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.201 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.95 -28.33 36.63 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.804 0.335 . . . . 0.0 111.301 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -93.43 -45.23 7.88 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.963 0.411 . . . . 0.0 111.85 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -89.08 -7.44 55.82 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -173.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.445 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . . . -59.34 -26.31 64.94 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -71.74 -17.29 62.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.178 0.513 . . . . 0.0 110.158 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.412 ' HB3' ' CE1' ' A' ' 79' ' ' TYR . 95.9 m-85 -103.03 -42.32 5.83 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.981 -178.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.57 179.31 46.84 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.39 -0.909 . . . . 0.0 113.0 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -93.46 134.61 35.53 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.084 0.554 . . . . 0.0 110.235 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.489 HG22 ' CD1' ' A' ' 37' ' ' LEU . 5.1 mt -125.84 130.49 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.286 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.612 HD21 ' HA ' ' A' ' 20' ' ' GLU . 10.6 mp 75.53 167.46 0.28 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.631 0.772 . . . . 0.0 112.309 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -89.3 1.68 55.41 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -172.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.645 ' HB2' HG21 ' A' ' 23' ' ' THR . 6.2 m-20 -65.09 -79.9 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 118.53 0.605 . . . . 0.0 111.695 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.4 mt 42.62 87.99 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.728 0.811 . . . . 0.0 112.734 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -119.15 -57.02 2.05 Favored 'General case' 0 C--N 1.289 -2.025 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.218 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.7 m -158.06 83.61 0.86 Allowed 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -90.45 -80.11 0.33 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.76 -174.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.495 HD12 ' HE ' ' A' ' 51' ' ' ARG . 72.5 mt -87.01 -14.3 42.01 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 176.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.5 -173.18 43.19 Favored Glycine 0 N--CA 1.423 -2.181 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -88.12 -0.97 57.71 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 117.569 0.684 . . . . 0.0 111.023 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.536 ' O ' ' HG3' ' A' ' 50' ' ' MET . 5.9 t -137.42 -20.02 1.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.38 37.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -173.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -99.43 -12.2 20.44 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.536 ' HG3' ' O ' ' A' ' 47' ' ' THR . 1.2 ppp? -78.55 37.89 0.29 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.242 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.495 ' HE ' HD12 ' A' ' 44' ' ' LEU . 37.0 mmt180 -70.28 79.86 0.53 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.555 0.693 . . . . 0.0 109.769 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.63 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 49.8 p -139.11 172.83 5.9 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.113 -176.189 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.63 ' HD2' ' HB ' ' A' ' 52' ' ' THR . 55.1 Cg_endo -72.42 7.96 1.67 Allowed 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.949 1.766 . . . . 0.0 113.21 177.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.98 51.86 0.06 OUTLIER Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.474 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -139.09 140.83 38.11 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -109.87 140.77 43.44 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 121.076 0.465 . . . . 0.0 111.022 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' A' ' 58' ' ' GLN . 36.3 p90 -79.35 -24.45 42.7 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.856 -175.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.433 ' HB3' ' O ' ' A' ' 57' ' ' PHE . 59.1 tp60 72.15 116.46 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.254 0.549 . . . . 0.0 110.338 -174.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -75.56 91.18 2.8 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.426 0.632 . . . . 0.0 110.582 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.44 145.11 31.56 Favored Pre-proline 0 C--N 1.311 -1.091 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.777 175.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.05 -64.95 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.114 2.542 . . . . 0.0 113.553 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -129.44 78.59 1.86 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.156 0.503 . . . . 0.0 111.082 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -131.72 143.45 50.27 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.9 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 92.3 mtm180 -69.25 87.07 0.41 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.167 0.508 . . . . 0.0 109.749 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -66.02 -36.93 84.6 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.869 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.475 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 2.1 tt -53.55 -39.91 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.061 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.9 m 55.89 30.92 16.81 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 178.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 66' ' ' ILE . 76.0 mtt85 -129.97 152.07 49.83 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.447 ' HG2' ' HE2' ' A' ' 76' ' ' LYS . 22.5 pt-20 -82.79 136.02 34.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.986 0.422 . . . . 0.0 110.331 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.406 ' CB ' ' HA ' ' A' ' 75' ' ' THR . 45.0 p-80 -158.16 166.63 31.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.994 -178.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.33 -143.87 13.29 Favored Glycine 0 N--CA 1.436 -1.31 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 177.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -108.36 -14.59 14.65 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.036 -0.665 . . . . 0.0 110.491 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.6 p -126.84 -0.84 6.65 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.682 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 -142.64 145.04 33.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.306 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.48 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 87.8 m -137.94 134.12 34.57 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.297 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HE2' ' HG2' ' A' ' 69' ' ' GLU . 39.1 ttpt -88.18 117.62 27.2 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.5 mt -107.64 123.73 48.92 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.222 0.534 . . . . 0.0 110.87 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.8 m -110.47 113.08 25.45 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 33' ' ' PHE . 10.1 m-85 -96.43 -9.19 30.4 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.154 -178.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 63.01 7.44 2.68 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.396 -178.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -130.47 140.54 50.53 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.795 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.407 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 57.1 p-80 -87.07 -20.64 26.85 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.396 -178.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.2 t -62.49 -43.88 97.74 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.989 0.423 . . . . 0.0 111.154 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.0 p -84.39 -15.26 46.94 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.532 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 46.2 t80 -59.8 -50.59 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.16 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.49 -42.5 95.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.803 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -65.56 -37.27 86.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.084 0.469 . . . . 0.0 111.282 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.15 -13.22 62.1 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.102 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 85' ' ' TYR . 45.1 mt -74.99 -5.56 44.59 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -176.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.531 ' HD3' ' OG1' ' A' ' 94' ' ' THR . 14.9 ptp180 -53.32 128.17 27.32 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 120.989 0.423 . . . . 0.0 111.338 179.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.477 ' HA ' ' O ' ' A' ' 101' ' ' ILE . 14.8 pt-20 -146.21 13.01 1.24 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -110.97 -70.35 0.82 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.835 0.35 . . . . 0.0 111.652 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.9 57.62 1.09 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.685 -0.769 . . . . 0.0 113.052 -176.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.531 ' OG1' ' HD3' ' A' ' 90' ' ' ARG . 87.3 m -150.22 103.18 3.15 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.223 0.535 . . . . 0.0 110.372 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 95.5 mt -114.24 124.11 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.444 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -121.29 128.06 51.97 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.7 t 62.85 23.18 13.84 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 121.07 0.462 . . . . 0.0 111.189 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.25 10.97 73.38 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.91 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.29 138.49 50.5 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.48 137.55 44.55 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.328 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 91' ' ' GLU . 51.1 mt -87.12 126.0 40.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.26 121.15 5.2 Favored Glycine 0 N--CA 1.437 -1.286 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.925 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.5 ' SG ' HG22 ' A' ' 15' ' ' VAL . 49.5 t -132.64 128.4 36.99 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.07 165.57 33.81 Favored Pre-proline 0 C--N 1.316 -0.883 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.616 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -61.48 148.79 92.11 Favored 'Trans proline' 0 C--O 1.239 0.531 0 C-N-CA 122.163 1.909 . . . . 0.0 110.794 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.493 ' CE1' HD11 ' A' ' 111' ' ' ILE . 78.9 t80 -63.72 95.83 0.12 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.119 0.485 . . . . 0.0 110.943 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -97.37 138.22 35.16 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.613 177.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -67.33 -38.52 85.03 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.647 -177.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.86 -28.33 67.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.969 0.414 . . . . 0.0 110.682 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.55 -36.59 81.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.771 178.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.493 HD11 ' CE1' ' A' ' 106' ' ' TYR . 46.0 mm -61.3 -42.79 94.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.577 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.5 m -60.35 -41.16 93.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.348 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -62.24 -50.73 70.6 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.273 0.558 . . . . 0.0 110.332 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.14 -42.14 96.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.137 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.9 p -66.8 -36.0 81.37 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -67.19 -38.8 85.97 Favored 'General case' 0 N--CA 1.42 -1.957 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 70.05 96.53 0.07 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.117 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 132.49 -109.39 0.84 Allowed Glycine 0 N--CA 1.435 -1.425 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.539 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -105.89 169.94 8.19 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 120.667 0.27 . . . . 0.0 110.542 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -73.6 -36.83 65.56 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.521 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -139.67 -162.03 1.28 Allowed 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -135.19 111.61 9.82 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 120.667 0.27 . . . . 0.0 111.206 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 70.8 m80 65.38 -81.0 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.054 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 . . . . . 0 C--O 1.243 0.748 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.883 -178.895 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.574 0.226 . . . . 0.0 111.606 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -87.5 -46.69 9.37 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.935 0.397 . . . . 0.0 110.804 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.9 mt -118.68 129.7 55.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.92 134.27 14.2 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -63.43 -44.23 95.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.558 0.179 . . . . 0.0 110.806 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 43.82 65.2 1.06 Allowed 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.239 0.962 . . . . 0.0 111.951 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.7 t -90.0 -136.05 0.12 Allowed 'General case' 0 N--CA 1.426 -1.656 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.03 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 64.14 4.74 2.18 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.608 1.163 . . . . 0.0 112.028 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.9 m -65.54 -45.72 82.31 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.592 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.55 -153.37 22.05 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.583 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -107.02 20.57 18.85 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 122.712 0.405 . . . . 0.0 111.384 -178.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.56 134.19 52.62 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.072 0.463 . . . . 0.0 111.758 -178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 m -116.4 156.3 17.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.902 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.23 112.26 39.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 102' ' ' GLY . 22.3 t -113.72 132.75 61.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.483 ' HB3' ' HB3' ' A' ' 74' ' ' TRP . 32.3 p90 -142.73 165.31 27.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.656 -178.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.81 10.41 8.39 Favored Glycine 0 N--CA 1.459 0.182 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.539 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.443 ' HE2' HG12 ' A' ' 15' ' ' VAL . 28.6 p90 -139.93 167.35 22.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.751 0.31 . . . . 0.0 110.75 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -124.19 158.78 31.59 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -74.37 87.23 2.02 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -176.62 -29.88 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.755 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.4 HD11 ' HB2' ' A' ' 18' ' ' TYR . 1.9 pp -97.53 31.24 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.378 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.482 HG23 HD12 ' A' ' 37' ' ' LEU . 7.8 m -57.99 -48.61 79.49 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.251 -174.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.563 ' HE3' ' HB2' ' A' ' 41' ' ' GLU . 11.0 mptt -61.66 -39.34 91.04 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.853 -173.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -65.98 -63.6 1.05 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.956 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 tt -67.79 -30.95 50.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -175.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' HG ' HD23 ' A' ' 40' ' ' LEU . 2.9 tm? -63.31 -41.83 98.97 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.965 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.42 -28.63 67.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -85.29 -48.13 9.37 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.956 0.407 . . . . 0.0 111.576 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -84.22 -7.47 59.34 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -175.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.95 -23.46 53.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.643 0.258 . . . . 0.0 111.524 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -58.44 -26.09 62.94 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.251 0.548 . . . . 0.0 109.54 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -107.69 -48.26 3.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.707 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.31 -167.32 36.01 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.785 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -94.42 158.28 15.63 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 mm -107.09 -77.55 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -175.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.482 HD12 HG23 ' A' ' 23' ' ' THR . 1.7 pp -138.43 -174.37 3.8 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -177.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -66.93 169.84 7.58 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -173.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 52.36 76.69 0.18 Allowed 'General case' 0 C--N 1.35 0.601 0 C-N-CA 124.915 1.286 . . . . 0.0 113.369 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.465 ' O ' ' HE3' ' A' ' 24' ' ' LYS . 6.1 mp -91.23 -31.34 16.19 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.563 ' HB2' ' HE3' ' A' ' 24' ' ' LYS . 40.7 mt-10 43.63 -94.27 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.424 0.689 . . . . 0.0 111.272 -175.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.2 m -87.79 92.49 9.14 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 175.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -63.81 -78.43 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.786 -175.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.534 ' HG ' ' N ' ' A' ' 45' ' ' GLY . 1.2 pt? -160.87 -54.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.504 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.534 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 79.04 -1.14 76.25 Favored Glycine 0 C--N 1.339 0.743 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.66 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.37 -85.04 0.24 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.731 0.3 . . . . 0.0 111.783 -178.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -90.38 37.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.754 0.788 . . . . 0.0 109.983 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -59.47 -24.98 64.03 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.177 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.7 p -66.6 -31.83 72.78 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.497 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 52.1 ttp -108.94 108.88 19.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.379 . . . . 0.0 111.522 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -134.4 84.13 2.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.997 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.5 m 65.51 122.95 0.02 OUTLIER Pre-proline 0 CA--C 1.548 0.87 0 CA-C-O 121.728 0.775 . . . . 0.0 111.653 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -76.99 47.23 2.15 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.315 2.677 . . . . 0.0 112.751 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.81 -57.56 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.021 -1.085 . . . . 0.0 113.7 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -133.22 164.02 27.99 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 120.973 0.416 . . . . 0.0 110.559 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -86.34 162.22 18.32 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.162 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -100.5 16.2 25.42 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.823 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -56.44 98.98 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.413 0.625 . . . . 0.0 111.108 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -78.84 90.15 4.69 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.535 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' A' ' 63' ' ' ARG . . . -86.9 120.63 71.73 Favored Pre-proline 0 C--N 1.315 -0.902 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.097 179.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -57.16 -31.6 90.97 Favored 'Trans proline' 0 N--CA 1.481 0.79 0 C-N-CA 123.196 2.598 . . . . 0.0 113.426 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -89.58 6.53 40.73 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.011 0.434 . . . . 0.0 110.729 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.463 ' HB2' ' HB3' ' A' ' 60' ' ' ALA . 25.2 mmt180 -142.21 -168.91 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.921 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.456 ' H ' ' HG2' ' A' ' 64' ' ' ARG . 27.5 ptt180 -69.24 127.66 33.84 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.352 175.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -78.16 -60.35 2.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.718 0.771 . . . . 0.0 108.954 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.414 HG12 ' H ' ' A' ' 68' ' ' ARG . 8.1 tt -103.38 151.09 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.947 177.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.9 t -59.13 -38.59 80.01 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' H ' HG12 ' A' ' 66' ' ' ILE . 56.0 mmt-85 -120.62 149.0 43.16 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 120.91 0.386 . . . . 0.0 111.189 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.9 162.7 28.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.373 -177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -105.78 146.69 29.52 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.128 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.13 -92.55 2.03 Favored Glycine 0 N--CA 1.44 -1.087 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.238 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -128.09 -85.57 0.58 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.957 0.408 . . . . 0.0 110.591 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.2 p -114.84 21.97 13.89 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.608 0.718 . . . . 0.0 110.194 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.483 ' HB3' ' HB3' ' A' ' 16' ' ' PHE . 65.4 p-90 -134.61 148.01 50.33 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.169 -178.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 38.0 m -134.38 129.5 35.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.047 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -88.29 107.77 18.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.415 HD13 ' OH ' ' A' ' 79' ' ' TYR . 94.4 mt -92.85 118.59 31.28 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.276 0.56 . . . . 0.0 111.632 -175.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 87.8 m -112.37 114.19 26.79 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.865 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.415 ' OH ' HD13 ' A' ' 77' ' ' LEU . 98.0 m-85 -108.45 7.07 26.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.713 -178.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.36 -53.61 0.64 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.583 0.753 . . . . 0.0 112.501 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -81.99 144.95 30.53 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-O 120.977 0.418 . . . . 0.0 110.727 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.411 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 51.5 p-80 -74.4 -22.66 59.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.233 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.666 ' O ' ' HG2' ' A' ' 87' ' ' ARG . 11.1 m -62.05 -51.39 68.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.329 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -65.46 -33.47 76.02 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.227 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.411 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 19.8 t80 -57.28 -50.17 73.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.663 177.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.1 tp -67.51 -37.37 82.7 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.131 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.666 ' HG2' ' O ' ' A' ' 83' ' ' SER . 30.1 mmm180 -63.41 -37.21 86.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.586 -178.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.51 -12.94 60.11 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.906 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.9 tp -67.63 -7.49 26.99 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.228 0.611 . . . . 0.0 111.896 -177.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -58.1 86.6 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -105.39 -9.83 17.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.154 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -59.79 91.78 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 -176.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.89 32.5 84.13 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.723 177.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.8 m -86.26 90.79 8.27 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.017 0.437 . . . . 0.0 110.627 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.527 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 93.2 mt -102.86 126.66 57.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.329 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -134.34 134.55 41.92 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 52.8 t 73.62 -37.01 0.36 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.02 0.528 . . . . 0.0 111.632 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.76 -31.53 0.27 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.908 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -111.47 160.85 16.73 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -84.87 136.72 33.53 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.49 178.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 40.6 pt -86.77 136.49 22.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.501 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -98.86 115.67 5.37 Favored Glycine 0 N--CA 1.433 -1.505 0 C-N-CA 120.501 -0.856 . . . . 0.0 112.268 -177.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 56.6 m -109.78 102.06 10.89 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.2 m -123.23 158.01 59.45 Favored Pre-proline 0 C--N 1.312 -1.06 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.367 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.1 152.04 82.25 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.869 2.379 . . . . 0.0 110.995 177.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -56.89 102.29 0.08 Allowed 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.422 0.451 . . . . 0.0 111.256 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.464 ' O ' HG12 ' A' ' 111' ' ' ILE . 60.3 mtpt -101.93 134.92 44.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.232 177.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -63.89 -47.56 80.16 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.74 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -68.8 -33.14 73.35 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.315 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 50.1 tp -59.89 -40.73 89.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.721 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 107' ' ' LYS . 45.6 mm -61.82 -43.97 98.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.3 m -61.51 -42.77 99.31 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -58.74 -49.58 77.1 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.817 0.341 . . . . 0.0 110.497 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.98 -43.35 95.99 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.432 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.3 p -73.6 -41.65 62.55 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -71.67 -45.1 62.97 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -178.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 51.28 81.35 0.07 Allowed 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.413 0.625 . . . . 0.0 111.861 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -131.71 15.11 5.21 Favored Glycine 0 C--O 1.223 -0.544 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.415 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 31.1 p80 55.05 -64.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 124.934 1.293 . . . . 0.0 113.897 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -141.46 112.35 7.23 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -93.86 -81.14 0.38 Allowed 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.601 -177.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -142.23 123.26 14.52 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 69.6 t60 70.95 -46.12 0.63 Allowed 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.78 0.675 . . . . 0.0 110.595 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.074 176.211 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.664 0.269 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m -85.51 -15.84 41.48 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.667 -178.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 tt -64.17 -45.37 88.71 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 120.959 0.409 . . . . 0.0 110.598 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.56 169.82 24.62 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.385 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 p -92.04 118.05 30.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.95 0.405 . . . . 0.0 110.497 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.01 -10.59 59.96 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.9 t -97.9 1.08 47.71 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.197 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 62.78 24.58 14.63 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.205 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.445 HG22 ' HB3' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -94.17 30.77 1.82 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.169 0.509 . . . . 0.0 110.635 -178.37 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.79 -4.49 54.17 Favored Glycine 0 C--O 1.227 -0.309 0 CA-C-N 115.882 -0.599 . . . . 0.0 113.053 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -97.45 5.65 49.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.885 0.374 . . . . 0.0 110.289 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.445 ' HB3' HG22 ' A' ' 9' ' ' THR . . . -135.26 143.18 46.15 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.51 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.27 160.27 42.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.505 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -107.94 114.44 46.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.417 HG12 ' HE2' ' A' ' 18' ' ' TYR . 21.5 t -109.09 127.3 65.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -141.93 173.34 11.6 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.871 0.367 . . . . 0.0 111.485 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.76 -2.57 23.09 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.685 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.417 ' HE2' HG12 ' A' ' 15' ' ' VAL . 36.4 p90 -125.94 176.1 7.22 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.757 0.313 . . . . 0.0 111.309 -178.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -128.32 166.31 18.88 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.596 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 36.8 tt0 -76.68 86.16 3.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.24 0.543 . . . . 0.0 109.629 177.409 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -168.23 -39.66 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.363 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 pp -88.5 21.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.354 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.4 m -61.0 -47.93 84.18 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.298 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -56.52 -37.26 70.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.47 0.652 . . . . 0.0 109.425 -178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -72.47 -67.05 0.58 Allowed 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.426 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.4 tt -66.16 -33.5 63.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.547 ' CD1' ' HA ' ' A' ' 43' ' ' GLU . 2.4 tm? -63.27 -39.65 95.18 Favored 'General case' 0 C--O 1.203 -1.379 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.372 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.39 -34.48 73.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.772 0.32 . . . . 0.0 111.787 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -83.28 -46.83 12.17 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.742 0.306 . . . . 0.0 111.794 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.426 ' HB3' HD11 ' A' ' 36' ' ' ILE . 54.2 m-85 -83.78 -4.9 59.01 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -177.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -56.32 -14.97 3.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.459 0.304 . . . . 0.0 111.725 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -60.26 -27.49 67.28 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -95.75 -67.65 0.84 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.533 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.26 -161.35 25.66 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.255 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.45 139.77 57.08 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.856 0.328 . . . . 0.0 110.298 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.47 ' O ' HG21 ' A' ' 75' ' ' THR . 43.5 mm -103.83 -54.52 6.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 120.906 0.384 . . . . 0.0 110.531 178.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 5.2 mp -117.82 179.6 4.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.315 179.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.581 ' O ' ' HD2' ' A' ' 65' ' ' ARG . 50.9 mt-10 -65.73 -37.49 86.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.72 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.75 142.11 49.76 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.854 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.414 HD21 ' HG3' ' A' ' 43' ' ' GLU . 1.2 tt -173.14 101.86 0.13 Allowed 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -101.71 -43.47 5.84 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.046 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.4 t -145.83 122.79 11.35 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.547 ' HA ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -90.99 -78.85 0.38 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.55 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -124.03 -48.68 1.86 Allowed 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.971 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.65 128.15 4.9 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.97 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 62.03 27.11 16.39 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.191 0.596 . . . . 0.0 111.854 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -164.32 33.2 0.07 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.52 0.676 . . . . 0.0 110.854 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 42.5 tt0 -59.4 -36.07 75.14 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.948 -178.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.2 t -78.56 -16.72 57.11 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.2 ttp -64.27 -40.37 95.85 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.348 0.594 . . . . 0.0 109.682 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -86.99 153.61 21.42 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.99 178.087 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.2 p 57.97 158.77 0.09 OUTLIER Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 124.315 1.046 . . . . 0.0 113.717 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -69.91 -156.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.828 2.352 . . . . 0.0 111.702 176.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.63 32.43 1.21 Allowed Glycine 0 CA--C 1.526 0.748 0 C-N-CA 121.115 -0.564 . . . . 0.0 113.455 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -124.22 113.22 17.99 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -103.54 131.85 50.31 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 120.93 0.395 . . . . 0.0 110.461 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -69.78 -37.98 76.54 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.738 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 66.91 120.78 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.711 0.632 . . . . 0.0 110.194 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -69.6 88.75 0.51 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.223 0.535 . . . . 0.0 111.256 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.41 102.92 55.38 Favored Pre-proline 0 N--CA 1.441 -0.915 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.923 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.16 -14.07 31.49 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.905 2.404 . . . . 0.0 112.773 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -82.86 -9.85 59.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.469 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 -134.83 -164.78 1.57 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.486 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.541 ' HD3' ' H ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -82.42 128.98 34.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.522 176.842 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.581 ' HD2' ' O ' ' A' ' 38' ' ' GLU . 80.3 mtt85 -71.65 -44.73 63.8 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.83 0.348 . . . . 0.0 110.869 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.486 HG12 ' H ' ' A' ' 68' ' ' ARG . 15.7 tt -89.06 131.8 35.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.366 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -96.31 27.84 3.55 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.953 -176.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.486 ' H ' HG12 ' A' ' 66' ' ' ILE . 6.8 tpt180 -134.04 148.59 51.09 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 1.2 pm0 -75.56 147.86 39.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.958 0.409 . . . . 0.0 111.5 -178.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -154.25 169.75 22.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -176.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.65 -163.86 23.38 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -94.8 -19.68 20.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.247 0.524 . . . . 0.0 111.506 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.9 p -123.43 -2.72 8.45 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.65 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -143.12 147.84 35.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.425 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.47 HG21 ' O ' ' A' ' 36' ' ' ILE . 59.3 m -128.04 132.54 49.09 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 120.951 0.405 . . . . 0.0 111.57 -178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 69' ' ' GLU . 83.9 tttt -91.31 113.73 26.08 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 176.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 12' ' ' ALA . 96.7 mt -112.76 124.57 52.88 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.038 0.447 . . . . 0.0 111.52 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.9 m -111.03 123.74 50.78 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.43 ' C ' ' H ' ' A' ' 81' ' ' ASN . 47.8 m-85 -103.59 -3.72 24.83 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.273 -176.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.95 -36.23 0.34 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.671 0.788 . . . . 0.0 111.793 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.43 ' H ' ' C ' ' A' ' 79' ' ' TYR . 88.0 m-20 -99.36 139.57 34.82 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.475 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 45.2 p-80 -80.47 -15.78 55.93 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.18 0.514 . . . . 0.0 110.293 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.5 m -62.14 -40.41 95.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.592 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m -71.85 -18.57 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.337 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.475 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 62.3 t80 -60.13 -49.28 78.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.21 -42.61 96.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.055 0.455 . . . . 0.0 111.202 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -67.95 -42.19 81.32 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.715 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.93 -13.52 60.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.997 0.427 . . . . 0.0 111.632 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.4 tp -79.53 -6.0 56.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.694 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.488 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 12.0 ptm180 -49.04 108.94 0.21 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -108.76 4.46 23.71 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.419 175.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -76.13 93.1 3.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.325 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.53 28.62 73.43 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.703 -0.68 . . . . 0.0 113.134 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 18.2 m -82.36 82.81 7.69 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.332 0.587 . . . . 0.0 110.355 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 97.5 mt -111.54 126.09 68.9 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.353 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -136.4 133.08 36.33 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.301 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 49.4 t 68.15 16.25 9.42 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.463 0.649 . . . . 0.0 110.609 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.21 -10.63 61.72 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.686 -0.688 . . . . 0.0 113.107 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.19 146.41 50.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 117.154 0.477 . . . . 0.0 111.698 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -77.62 142.42 38.91 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.216 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.8 pt -97.48 154.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.097 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.74 131.58 9.74 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.465 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.5 p -131.44 130.4 42.46 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.869 0.366 . . . . 0.0 110.654 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.9 m -132.64 161.58 62.48 Favored Pre-proline 0 C--N 1.315 -0.894 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.704 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -65.3 160.89 40.19 Favored 'Trans proline' 0 C--O 1.239 0.528 0 C-N-CA 121.936 1.757 . . . . 0.0 109.689 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -60.03 97.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.416 0.627 . . . . 0.0 110.433 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -96.69 116.29 28.88 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.019 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -60.03 -45.51 92.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.796 -175.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -66.8 -30.69 70.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.982 0.42 . . . . 0.0 111.033 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.98 -40.35 95.32 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.484 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.8 mm -62.02 -43.67 97.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.1 m -61.54 -41.51 97.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.439 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 44.6 mt-10 -67.24 -41.12 86.18 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 121.003 0.43 . . . . 0.0 111.186 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.0 -38.37 88.3 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.881 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.1 p -78.8 0.42 27.08 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 113' ' ' GLU . 14.8 ptm180 -66.23 -18.85 65.6 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.936 0.398 . . . . 0.0 110.243 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -74.83 87.11 2.25 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.658 0.742 . . . . 0.0 109.744 178.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 115.65 -14.02 17.66 Favored Glycine 0 C--N 1.297 -1.603 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.35 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 60.66 24.86 14.64 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.862 0.465 . . . . 0.0 111.678 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -68.35 115.88 8.29 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 68.49 13.49 8.97 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.983 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -83.32 -4.17 58.19 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.894 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -97.79 119.41 36.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.292 178.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.795 -0.622 . . . . 0.0 110.441 179.734 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptp . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 m -85.71 98.63 10.81 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 120.838 0.351 . . . . 0.0 110.332 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -123.09 109.66 14.33 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.11 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.36 -31.16 55.51 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.558 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m 69.59 163.14 0.24 Allowed 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.72 0.808 . . . . 0.0 111.087 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -85.09 60.14 6.07 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.673 0.749 . . . . 0.0 110.519 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 p -115.78 -113.35 0.34 Allowed 'General case' 0 N--CA 1.427 -1.599 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.441 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 55.85 34.56 23.75 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 123.538 0.523 . . . . 0.0 111.695 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.3 m 73.84 9.51 4.78 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 121.313 0.577 . . . . 0.0 111.02 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.77 -4.68 41.62 Favored Glycine 0 C--O 1.223 -0.582 0 CA-C-N 115.944 -0.571 . . . . 0.0 113.979 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -62.24 -37.92 87.24 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 176.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.8 129.49 38.71 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.659 176.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 m -112.13 155.49 13.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.022 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.701 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -99.54 117.0 44.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.452 HG22 ' HB3' ' A' ' 103' ' ' CYS . 47.1 t -101.56 122.04 53.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.581 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -134.63 157.8 45.68 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.557 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.49 0.27 21.9 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.068 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.57 ' HB2' HD11 ' A' ' 22' ' ' ILE . 38.8 p90 -105.84 171.47 7.32 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -140.66 160.82 39.2 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.475 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 34.1 tt0 -76.54 61.48 1.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.45 0.643 . . . . 0.0 110.475 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -158.49 9.19 0.14 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.711 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.57 HD11 ' HB2' ' A' ' 18' ' ' TYR . 30.0 pt -131.16 20.0 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.3 m -60.82 -44.41 96.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -59.95 -29.49 68.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.25 0.548 . . . . 0.0 110.169 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -89.24 -68.99 0.74 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -176.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.1 tt -64.82 -40.66 89.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.76 -34.39 77.73 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.854 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.97 -32.73 66.36 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.998 0.428 . . . . 0.0 111.263 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -90.74 -41.78 11.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.819 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -85.59 -7.39 58.88 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -175.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.9 -23.86 55.2 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.071 0.462 . . . . 0.0 110.847 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -59.6 -36.73 76.85 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.244 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -95.19 -50.63 4.97 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.055 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.23 150.07 7.92 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.069 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' CD ' HH22 ' A' ' 51' ' ' ARG . 3.4 mp0 -70.52 137.25 50.02 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 122.757 0.423 . . . . 0.0 111.534 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.487 ' N ' HD12 ' A' ' 36' ' ' ILE . 3.6 mp -94.07 -40.57 11.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.909 -178.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 4.4 mp -121.72 168.12 12.17 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -69.13 -32.04 71.15 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.725 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.43 146.43 54.89 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.059 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.414 ' HG ' HH21 ' A' ' 65' ' ' ARG . 2.0 tm? -157.34 113.8 2.95 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -178.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.5 -81.05 0.44 Allowed 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.959 179.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.9 m -103.88 -61.9 1.37 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.085 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.478 ' CD ' HH21 ' A' ' 51' ' ' ARG . 44.1 tt0 65.43 100.29 0.04 OUTLIER 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 178.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.0 mt 51.22 -137.63 1.15 Allowed 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.149 175.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.04 -78.23 0.24 Allowed Glycine 0 N--CA 1.436 -1.325 0 C-N-CA 120.665 -0.778 . . . . 0.0 111.357 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -67.88 -41.63 82.49 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.478 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 6.2 t 44.3 31.57 0.59 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.813 1.245 . . . . 0.0 113.233 -177.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -115.24 -27.16 7.36 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.074 175.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 t -132.81 -29.05 1.53 Allowed 'General case' 0 C--O 1.239 0.504 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.685 -177.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 50' ' ' MET . 15.8 tpt -85.41 28.37 0.75 Allowed 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.721 0.772 . . . . 0.0 110.625 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.478 ' HG2' ' HA ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -151.9 138.42 18.64 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.851 -178.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.487 ' HB ' ' CD ' ' A' ' 53' ' ' PRO . 41.4 p 56.6 174.28 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.164 0 C-N-CA 124.115 0.966 . . . . 0.0 112.341 177.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.487 ' CD ' ' HB ' ' A' ' 52' ' ' THR . 27.3 Cg_exo -66.94 -19.12 52.5 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.501 2.134 . . . . 0.0 111.932 176.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.93 55.78 0.01 OUTLIER Glycine 0 C--N 1.314 -0.654 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.789 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -127.28 134.06 50.09 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -79.02 143.6 35.49 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.406 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -61.12 -52.25 65.68 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.43 ' HG2' ' N ' ' A' ' 59' ' ' GLN . 61.6 tt0 59.75 172.97 0.08 Allowed 'General case' 0 CA--C 1.56 1.34 0 O-C-N 123.294 0.371 . . . . 0.0 110.621 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.451 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 54.1 tt0 -132.24 -75.09 0.51 Allowed 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.846 -0.534 . . . . 0.0 110.746 177.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 43.7 84.27 0.19 Allowed Pre-proline 0 C--N 1.313 -1.017 0 O-C-N 124.126 0.891 . . . . 0.0 112.871 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.1 -29.02 81.68 Favored 'Trans proline' 0 N--CA 1.477 0.519 0 C-N-CA 122.935 2.423 . . . . 0.0 112.731 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -80.09 -8.32 59.33 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.533 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 51.2 mmt-85 -133.65 178.59 6.82 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-O 120.856 0.36 . . . . 0.0 111.636 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -92.76 111.72 23.42 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.849 -178.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -64.96 -32.42 74.14 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.733 -178.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.415 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 4.2 tt -66.79 -39.12 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 121.165 0.507 . . . . 0.0 111.405 177.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 t 67.31 29.29 7.62 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.384 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 76' ' ' LYS . 14.4 tpp180 -135.52 139.01 43.64 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -74.03 136.17 43.1 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -149.12 170.45 18.39 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.432 -176.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.462 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -106.63 -158.64 21.69 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.819 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.6 ttp-105 -69.55 -44.7 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.912 0.387 . . . . 0.0 111.866 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.7 p -129.29 15.17 6.15 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.303 -175.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.462 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 60.1 p-90 -140.17 143.19 35.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.183 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.401 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 9.8 t -142.19 147.08 35.98 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.422 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 27.4 ttpp -100.15 118.92 37.48 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD11 HG13 ' A' ' 36' ' ' ILE . 68.0 mt -102.79 130.58 49.82 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.031 0.443 . . . . 0.0 111.225 -177.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.4 m -103.99 111.32 23.83 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -88.07 -18.78 28.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.754 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 68.31 -59.37 0.44 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.722 0.809 . . . . 0.0 112.139 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -82.7 140.27 33.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.974 0.416 . . . . 0.0 110.247 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -79.26 -25.18 42.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.635 -178.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.7 t -61.42 -41.5 97.27 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.801 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 p -81.93 -15.48 53.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.098 0.475 . . . . 0.0 111.371 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -62.33 -42.08 99.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.968 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.11 -43.92 98.15 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -67.23 -37.17 83.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.847 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.58 -12.91 57.38 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 31.9 tp -82.27 -6.41 59.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.864 0.364 . . . . 0.0 110.974 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 27.1 ptt180 -53.43 102.08 0.05 Allowed 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -177.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -120.41 1.18 10.68 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.86 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -62.66 -38.02 88.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.315 -177.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.6 68.79 0.13 Allowed Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.4 m -111.53 92.05 3.89 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.095 0.474 . . . . 0.0 111.061 -177.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.456 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 88.7 mt -105.32 122.94 59.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.077 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -131.25 136.24 48.03 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 34.5 t 64.99 13.21 8.49 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.162 0.506 . . . . 0.0 111.466 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.83 7.39 56.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.1 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -142.69 145.51 33.47 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 117.267 0.534 . . . . 0.0 111.389 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -80.08 134.07 36.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.872 0.368 . . . . 0.0 110.682 177.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 29.5 pt -96.73 140.24 17.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.782 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -107.87 116.01 4.69 Favored Glycine 0 N--CA 1.437 -1.295 0 C-N-CA 120.109 -1.043 . . . . 0.0 112.126 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.452 ' HB3' HG22 ' A' ' 15' ' ' VAL . 5.2 p -121.57 100.8 7.22 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.265 0.555 . . . . 0.0 110.201 177.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.478 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 24.7 m -115.35 159.2 39.17 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.007 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.478 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 18.8 Cg_endo -58.83 151.56 63.71 Favored 'Trans proline' 0 C--O 1.242 0.715 0 C-N-CA 122.52 2.147 . . . . 0.0 111.642 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.409 ' CD1' ' HD3' ' A' ' 76' ' ' LYS . 87.9 t80 -61.06 120.62 10.62 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.585 0.707 . . . . 0.0 112.492 -176.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -125.83 132.27 52.26 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 174.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -66.7 -34.76 78.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.822 0.344 . . . . 0.0 111.192 -177.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -68.34 -34.81 76.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.153 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.53 ' O ' HD13 ' A' ' 114' ' ' LEU . 26.5 tp -62.12 -43.43 98.86 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.984 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.48 -42.2 92.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.863 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.7 t -61.22 -45.67 93.59 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.716 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -61.45 -47.27 86.49 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.641 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 110' ' ' LEU . 10.7 mp -62.51 -33.96 75.93 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.1 m -73.55 -22.2 60.14 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 121.117 0.484 . . . . 0.0 110.363 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -87.21 -47.98 8.41 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.622 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 64.83 80.07 0.24 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.497 0.719 . . . . 0.0 111.253 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.88 -12.94 76.18 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.278 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -81.54 73.61 8.57 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -93.18 114.93 27.55 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.673 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -158.12 159.18 35.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.142 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -153.01 -58.61 0.13 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.106 0.479 . . . . 0.0 110.137 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -143.25 122.71 13.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.076 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 80.2 m80 . . . . . 0 C--N 1.311 -1.099 0 CA-C-O 118.461 -0.78 . . . . 0.0 110.153 179.75 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.1 mtm . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 120.663 0.268 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 p -89.02 -22.49 22.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.193 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.5 tp 66.3 8.86 5.94 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.521 0.728 . . . . 0.0 111.338 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.98 165.83 36.01 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 p -152.46 150.0 29.16 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 117.062 0.431 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -99.4 13.79 32.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.714 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 m -65.32 -15.9 63.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.766 -175.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -69.24 -11.87 61.18 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 121.394 0.616 . . . . 0.0 111.714 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 m -66.54 -32.17 73.35 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.485 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.67 50.38 1.43 Allowed Glycine 0 C--N 1.34 0.755 0 CA-C-N 115.772 -0.649 . . . . 0.0 114.333 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -120.52 8.75 10.75 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.322 0.582 . . . . 0.0 110.113 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.02 142.62 38.26 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.964 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.8 m -120.5 159.84 21.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.044 0.449 . . . . 0.0 111.429 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.7 t -110.63 115.23 49.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.9 t -112.79 129.77 67.81 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.349 -178.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -147.41 170.04 18.22 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.27 -30.58 4.71 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.861 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -99.34 -170.2 1.87 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.833 0.349 . . . . 0.0 111.453 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.716 ' O ' HG13 ' A' ' 22' ' ' ILE . 75.5 ttt180 -119.56 153.17 35.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.77 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.579 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -67.11 -30.3 70.28 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.052 -0.405 . . . . 0.0 112.009 -179.228 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' H ' ' HG2' ' A' ' 19' ' ' ARG . . . -61.17 -25.95 67.37 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.716 HG13 ' O ' ' A' ' 19' ' ' ARG . 2.8 pp -86.55 22.1 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -176.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.5 m -57.47 -45.58 84.65 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.356 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.525 ' HE3' ' HB2' ' A' ' 41' ' ' GLU . 39.9 mmtm -58.74 -41.18 85.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.851 0.358 . . . . 0.0 111.363 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -70.81 -60.98 1.94 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.93 -177.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.2 tt -65.76 -27.66 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.056 -174.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 43' ' ' GLU . 42.0 tp -63.02 -35.46 80.31 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.391 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.62 -37.59 70.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.67 0.271 . . . . 0.0 111.323 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -90.85 -46.04 8.44 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -79.04 -5.77 54.78 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -176.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' ' 51' ' ' ARG . . . -58.8 -23.8 60.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.676 0.274 . . . . 0.0 111.265 177.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -66.04 -22.04 66.41 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.943 0.402 . . . . 0.0 110.274 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -89.99 -55.75 3.5 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.241 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.47 -134.57 4.11 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 119.388 -1.387 . . . . 0.0 114.723 177.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.507 ' CD ' HG13 ' A' ' 66' ' ' ILE . 36.1 tt0 -67.43 123.75 21.27 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.665 1.186 . . . . 0.0 111.197 -176.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 35' ' ' GLU . 9.2 mm -134.45 145.51 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -178.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.579 ' CD1' ' HA ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER 50.77 -107.57 0.3 Allowed 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 177.41 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.5 ' HG3' ' HB2' ' A' ' 65' ' ' ARG . 35.2 tt0 -169.31 -54.16 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.889 0.376 . . . . 0.0 111.506 -174.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.93 74.16 8.93 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.76 -74.99 0.13 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.037 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.525 ' HB2' ' HE3' ' A' ' 24' ' ' LYS . 46.0 mt-10 65.05 -74.78 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.568 0.747 . . . . 0.0 111.965 -179.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 t -117.01 111.69 19.93 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.493 ' HB3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -105.55 -93.61 0.36 Allowed 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.215 -178.324 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.4 mt -118.16 -35.11 3.91 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.757 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.449 ' O ' ' HB3' ' A' ' 46' ' ' ASP . . . 93.36 98.42 1.49 Allowed Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -175.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.581 ' O ' HG22 ' A' ' 47' ' ' THR . 25.7 t70 75.46 169.12 0.28 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.032 0.533 . . . . 0.0 110.25 -176.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 46' ' ' ASP . 0.6 OUTLIER 70.24 17.79 7.03 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.927 0.891 . . . . 0.0 111.284 -179.711 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -62.21 -33.27 74.25 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.957 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.5 p -79.31 -3.03 44.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.805 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 97.0 mmm -107.69 16.93 23.19 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 31' ' ' ALA . 2.5 mpt_? -113.41 -1.66 14.14 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.9 p -136.2 162.94 53.61 Favored Pre-proline 0 C--N 1.305 -1.355 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.442 -178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.588 ' HD2' ' CE2' ' A' ' 55' ' ' TYR . 34.0 Cg_exo -63.56 -19.15 67.13 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.749 2.299 . . . . 0.0 111.776 177.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.78 59.96 0.05 OUTLIER Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 115.402 -0.817 . . . . 0.0 113.211 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.588 ' CE2' ' HD2' ' A' ' 53' ' ' PRO . 25.3 p90 -152.86 159.81 43.04 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -111.95 141.23 45.86 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.461 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.417 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 32.0 p90 -85.08 -16.73 39.63 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.881 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 57' ' ' PHE . 79.5 mt-30 74.96 97.89 0.07 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.525 0.73 . . . . 0.0 110.66 -176.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -75.06 87.32 2.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.559 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.08 120.25 1.68 Allowed Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.312 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.6 -24.84 76.83 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 123.36 2.707 . . . . 0.0 112.775 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -84.13 -3.83 58.37 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.967 0.413 . . . . 0.0 110.903 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -118.34 -171.65 2.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.783 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -69.78 117.56 11.53 Favored 'General case' 0 N--CA 1.432 -1.364 0 CA-C-N 115.124 -0.943 . . . . 0.0 108.925 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.503 ' HD2' ' H ' ' A' ' 65' ' ' ARG . 3.0 mpt_? -75.33 -24.52 57.38 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.534 0.683 . . . . 0.0 109.704 -177.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.507 HG13 ' CD ' ' A' ' 35' ' ' GLU . 10.2 tt -135.38 142.86 38.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.334 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.1 m -58.94 -42.58 90.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.868 -177.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -92.41 151.18 20.38 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.593 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.71 132.32 42.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.421 0.629 . . . . 0.0 111.014 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -106.48 125.15 50.64 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.534 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.76 -119.59 0.87 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.609 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -86.94 -82.98 0.2 Allowed 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 121.233 0.54 . . . . 0.0 110.639 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.4 p -114.85 9.86 16.32 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.234 -177.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -110.97 137.41 48.63 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.091 0.472 . . . . 0.0 111.057 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.9 m -130.5 129.76 43.32 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.96 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -96.27 114.15 25.81 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.36 -0.536 . . . . 0.0 109.571 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.1 mt -96.69 121.44 38.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.988 0.423 . . . . 0.0 110.397 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.2 m -111.72 112.0 23.39 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.737 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -108.13 -12.17 15.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.227 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 66.53 -1.19 1.33 Allowed 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.409 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -116.82 132.5 56.68 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.819 0.342 . . . . 0.0 110.107 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -64.87 -36.04 83.08 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.597 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.1 t -59.81 -50.27 74.47 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -67.01 -36.74 82.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.389 0.614 . . . . 0.0 110.328 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.441 ' OH ' ' HB3' ' A' ' 105' ' ' PRO . 19.5 t80 -58.66 -50.67 73.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.805 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.0 tp -67.84 -39.46 83.83 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.466 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.27 -20.72 64.8 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.019 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.33 -25.93 68.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.743 0.306 . . . . 0.0 111.74 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.445 ' HA ' ' HB2' ' A' ' 103' ' ' CYS . 11.1 mp -74.62 -5.3 42.19 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.886 0.474 . . . . 0.0 111.884 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -52.86 139.02 28.26 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 121.482 0.658 . . . . 0.0 112.281 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -79.66 1.38 26.51 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.792 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -69.23 -17.67 63.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.517 ' O ' HG22 ' A' ' 94' ' ' THR . . . -65.19 -43.93 94.68 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 173.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 93' ' ' GLY . 3.1 t 54.65 -165.04 0.1 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 170.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.517 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 91.9 mt -74.24 103.13 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.413 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.408 ' C ' ' H ' ' A' ' 98' ' ' GLY . 2.7 t80 -111.09 129.13 56.02 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.489 -178.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.5 t 71.46 -36.4 0.36 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.207 0.603 . . . . 0.0 111.883 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 96' ' ' TYR . . . 169.88 -17.08 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.886 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.5 153.68 50.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.083 0.442 . . . . 0.0 111.177 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -70.54 152.43 43.98 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.676 178.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.465 HG13 ' C ' ' A' ' 93' ' ' GLY . 1.3 mt -82.94 119.73 32.98 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.6 103.95 2.22 Favored Glycine 0 N--CA 1.438 -1.181 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.323 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 89' ' ' LEU . 14.2 m -109.03 110.22 21.44 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.6 m -113.3 158.16 39.07 Favored Pre-proline 0 C--N 1.31 -1.114 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.66 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.441 ' HB3' ' OH ' ' A' ' 85' ' ' TYR . 27.2 Cg_exo -62.46 150.87 85.93 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.467 2.111 . . . . 0.0 110.93 176.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -59.0 115.13 2.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.187 0.518 . . . . 0.0 110.986 -178.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.401 ' O ' HG12 ' A' ' 111' ' ' ILE . 99.5 mttt -120.04 117.52 28.23 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.177 178.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.6 -41.11 94.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.842 -177.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -63.33 -42.95 99.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.373 . . . . 0.0 110.398 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 62.2 tp -62.33 -42.7 99.6 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.001 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 107' ' ' LYS . 35.4 mm -62.46 -42.76 96.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.124 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 6.2 t -59.89 -48.84 80.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.001 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.34 -41.13 98.86 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.411 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 89.3 mt -63.54 -43.29 97.54 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.386 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.6 m -66.24 -40.25 90.11 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.695 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 112' ' ' SER . 99.5 mtt180 -64.53 -41.27 96.48 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.623 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 57.07 36.95 28.34 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.491 0.662 . . . . 0.0 111.46 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 96.26 7.79 58.06 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.37 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -76.61 114.35 15.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -126.17 -172.31 2.59 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -102.42 174.57 5.85 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.717 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -69.6 102.69 1.91 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -92.82 -31.21 15.09 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.917 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 C--N 1.32 -0.702 0 CA-C-O 118.409 -0.805 . . . . 0.0 110.02 -177.841 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 120.621 0.248 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -86.11 96.5 9.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.569 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.7 mp 55.18 -89.11 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.822 0.849 . . . . 0.0 112.654 177.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.88 -22.57 5.42 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p 64.64 -50.56 0.31 Allowed 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 125.201 1.4 . . . . 0.0 113.329 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 62.26 42.06 9.76 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.696 0.76 . . . . 0.0 109.47 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.1 p -114.95 -149.26 0.44 Allowed 'General case' 0 N--CA 1.414 -2.24 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.135 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 55.65 32.31 19.03 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.907 0.483 . . . . 0.0 111.283 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.7 m 71.66 -68.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 123.857 0.863 . . . . 0.0 110.877 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 54.13 -121.41 19.18 Favored Glycine 0 C--N 1.318 -0.465 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.515 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -108.68 13.47 25.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.823 0.344 . . . . 0.0 110.569 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.55 130.94 36.53 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.134 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.9 m -130.93 160.76 41.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.301 -177.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.6 t -109.12 112.93 42.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.198 177.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.624 HG22 ' SG ' ' A' ' 103' ' ' CYS . 21.4 t -99.74 130.22 49.15 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.893 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -147.76 172.06 14.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.437 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.44 2.21 56.61 Favored Glycine 0 C--O 1.226 -0.363 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.008 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.768 ' HB2' HD11 ' A' ' 22' ' ' ILE . 54.5 p90 -117.41 157.89 25.41 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.621 ' O ' HG12 ' A' ' 22' ' ' ILE . 57.1 ttp180 -125.04 153.39 42.93 Favored 'General case' 0 C--N 1.309 -1.19 0 C-N-CA 120.516 -0.474 . . . . 0.0 109.762 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -49.93 -32.6 15.17 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.13 -25.39 63.82 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.768 HD11 ' HB2' ' A' ' 18' ' ' TYR . 28.7 pt -88.35 30.78 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 122.073 -0.392 . . . . 0.0 110.995 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -43.9 -73.5 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -174.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -61.05 -40.36 93.35 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -52.63 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.575 ' HB ' HD12 ' A' ' 22' ' ' ILE . 8.1 tt -73.24 -27.12 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.0 tp -61.8 -45.87 91.98 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 120.688 0.28 . . . . 0.0 110.632 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.13 -27.13 68.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.319 -0.401 . . . . 0.0 112.039 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -91.62 -49.13 6.46 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -90.83 -19.89 22.91 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -173.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 51' ' ' ARG . . . -65.28 -12.07 47.89 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -177.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -63.96 -30.25 71.34 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.802 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -123.33 -12.79 7.77 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.05 116.9 0.63 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.943 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.616 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 41.6 mt-10 -73.28 119.81 18.03 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 120.966 0.412 . . . . 0.0 110.554 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 8.8 mt -107.68 164.39 5.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.735 -178.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.483 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 80.8 mt 71.82 -107.35 0.04 OUTLIER 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 123.19 0.596 . . . . 0.0 111.577 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.484 ' CD ' ' HD3' ' A' ' 65' ' ' ARG . 45.9 mt-10 -164.13 -67.77 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.038 0.935 . . . . 0.0 109.231 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.562 ' CG ' ' H ' ' A' ' 40' ' ' LEU . 17.5 t70 62.74 -169.82 0.18 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.426 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.562 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -160.8 3.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -173.718 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -131.97 159.37 38.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.225 0.536 . . . . 0.0 111.201 -172.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.563 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 57.9 m -88.66 91.29 8.75 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.839 175.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -61.06 -48.67 80.67 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.747 0.784 . . . . 0.0 109.166 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.478 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 63.9 mt -89.03 105.08 17.55 Favored 'General case' 0 N--CA 1.421 -1.912 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.49 -66.17 1.53 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.702 -175.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -64.71 -35.33 80.69 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.478 ' OG1' ' HB3' ' A' ' 44' ' ' LEU . 19.6 p -83.07 -84.28 0.13 Allowed 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.441 177.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 66.39 -38.31 0.3 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.036 0.934 . . . . 0.0 112.719 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.403 ' H ' ' C ' ' A' ' 47' ' ' THR . 71.6 p -65.55 -28.09 68.91 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.298 0.571 . . . . 0.0 109.903 177.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 61.2 ttp -87.36 76.32 9.11 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.553 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.616 ' HD3' ' OE2' ' A' ' 35' ' ' GLU . 86.8 mtt180 -129.4 -140.75 0.24 Allowed 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 175.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 m -53.45 118.3 14.22 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.92 38.33 0.52 Allowed 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.735 2.957 . . . . 0.0 112.926 -175.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -144.25 -58.75 0.02 OUTLIER Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -157.24 165.96 34.48 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -92.35 147.33 23.0 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 123.627 0.579 . . . . 0.0 109.61 178.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.404 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 28.3 p90 -74.19 147.85 42.18 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.305 0.574 . . . . 0.0 112.414 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -122.22 115.55 22.58 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 175.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.664 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 62.9 tt0 -66.36 -54.44 24.44 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -175.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 63.76 149.86 0.11 Allowed Pre-proline 0 C--N 1.314 -0.943 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.256 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.45 100.96 0.82 Allowed 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.12 1.88 . . . . 0.0 112.655 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 56.3 34.65 24.45 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.468 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.401 ' HB3' ' H ' ' A' ' 64' ' ' ARG . 99.6 mtt180 -119.77 -153.31 0.53 Allowed 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.401 ' H ' ' HB3' ' A' ' 63' ' ' ARG . 89.0 mtm180 -55.88 101.02 0.05 OUTLIER 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.664 ' O ' ' HA ' ' A' ' 59' ' ' GLN . 71.8 mtt180 -63.39 -38.85 92.76 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -172.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.404 ' HA ' ' HB2' ' A' ' 57' ' ' PHE . 32.7 pt -120.57 -38.63 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-O 121.409 0.624 . . . . 0.0 109.64 175.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 t 170.94 -42.57 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 114.402 -1.272 . . . . 0.0 107.716 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.17 149.82 41.63 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.234 -1.348 . . . . 0.0 109.075 177.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.19 151.94 38.43 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.545 0.688 . . . . 0.0 112.526 -176.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -128.13 143.86 51.08 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.001 -0.999 . . . . 0.0 108.85 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.55 134.67 8.38 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.07 -1.062 . . . . 0.0 111.892 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 51.32 -90.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.1 p -132.58 18.67 4.3 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.955 -177.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.405 ' CG ' HD13 ' A' ' 114' ' ' LEU . 59.0 p-90 -135.2 143.44 46.4 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.993 0.425 . . . . 0.0 112.013 -178.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 t -144.66 148.5 34.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.598 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 76' ' ' LYS . 2.2 ttpm? -107.06 104.19 13.79 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 77' ' ' LEU . 2.6 pt? -115.23 154.99 28.04 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.216 0.531 . . . . 0.0 111.476 -177.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.8 m -103.1 123.53 46.83 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.817 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -92.56 -3.67 54.69 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 68.12 -48.81 0.54 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.002 0.921 . . . . 0.0 113.022 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -96.06 142.27 28.46 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.021 0.438 . . . . 0.0 110.889 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.537 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 22.1 t60 -74.94 -25.35 58.82 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.847 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.7 m -60.44 -41.06 93.27 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.281 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.4 m -68.77 -24.23 64.41 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.952 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.537 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 88.8 t80 -59.18 -46.99 86.97 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.589 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.18 -42.36 88.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.807 0.337 . . . . 0.0 111.641 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 94.2 mtt180 -66.1 -40.91 91.12 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.22 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.2 -12.12 59.97 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.45 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.5 tp -63.73 -4.54 3.18 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.515 0.726 . . . . 0.0 111.864 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 87' ' ' ARG . 18.8 mmt180 -37.88 130.78 1.09 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.677 0.791 . . . . 0.0 111.838 178.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -136.4 -153.88 0.52 Allowed 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.301 -177.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -55.19 124.09 15.83 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.828 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.37 -26.74 5.97 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.6 m -92.59 91.09 7.4 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.474 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 98.9 mt -94.08 125.52 46.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.426 -178.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -129.09 126.42 39.32 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.823 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.0 t 66.95 9.98 7.29 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.048 0.539 . . . . 0.0 111.936 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.01 -9.49 21.0 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.28 -0.962 . . . . 0.0 113.589 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.38 153.14 51.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 117.068 0.434 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -89.2 129.52 35.77 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.818 0.342 . . . . 0.0 110.834 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 40.4 pt -89.26 142.29 13.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.909 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -120.82 123.89 5.7 Favored Glycine 0 N--CA 1.435 -1.408 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.552 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.624 ' SG ' HG22 ' A' ' 15' ' ' VAL . 49.6 t -130.18 125.78 35.82 Favored 'General case' 0 N--CA 1.433 -1.275 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.439 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 30.7 m -134.14 160.94 66.58 Favored Pre-proline 0 C--N 1.312 -1.024 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 18.9 Cg_endo -60.13 153.09 61.01 Favored 'Trans proline' 0 C--O 1.239 0.569 0 C-N-CA 122.439 2.093 . . . . 0.0 111.305 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -55.21 124.68 17.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.174 0.512 . . . . 0.0 111.959 -178.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -134.75 138.29 44.21 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.241 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -65.55 -41.45 92.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.621 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.85 -40.27 94.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.634 -177.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 58.0 tp -60.77 -46.42 90.54 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 120.805 0.336 . . . . 0.0 110.365 -179.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.8 mm -64.99 -43.25 96.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.641 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.0 m -61.1 -46.81 89.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.991 -178.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.2 -36.96 80.38 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.14 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 93.3 mt -63.55 -42.76 98.35 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.884 177.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.9 m -71.23 -43.29 67.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.476 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 116' ' ' ARG . 55.5 mmt-85 -68.23 -36.75 79.98 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 61.77 64.6 1.01 Allowed 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.385 0.612 . . . . 0.0 110.811 179.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -141.96 -147.03 4.77 Favored Glycine 0 N--CA 1.429 -1.82 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.502 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -153.32 153.0 31.76 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -73.26 -17.5 61.33 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.834 0.35 . . . . 0.0 111.887 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -110.39 139.93 45.1 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -118.35 16.43 13.9 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.399 0.619 . . . . 0.0 110.191 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -78.36 101.51 7.26 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.683 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.675 -0.679 . . . . 0.0 110.978 -179.514 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 p -71.52 132.03 44.12 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.4 tp 50.2 76.54 0.14 Allowed 'General case' 0 CA--C 1.533 0.3 0 O-C-N 123.865 0.728 . . . . 0.0 111.638 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.99 131.74 10.39 Favored Glycine 0 N--CA 1.441 -0.971 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 p -80.19 146.6 31.67 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 120.993 0.425 . . . . 0.0 111.592 -178.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -97.64 4.95 50.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.436 0.636 . . . . 0.0 110.079 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.2 t -94.85 22.66 6.2 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.626 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -94.79 15.18 19.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.007 0.432 . . . . 0.0 111.575 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.3 m -62.46 -47.78 82.51 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.673 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.13 -130.37 38.51 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.978 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -108.47 13.69 25.24 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.734 0.302 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.91 129.92 34.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.938 0.399 . . . . 0.0 111.196 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -116.1 153.97 17.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.209 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.3 t -111.74 118.14 56.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.514 HG13 ' SG ' ' A' ' 103' ' ' CYS . 3.0 t -113.23 130.19 67.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -144.08 169.2 18.31 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.743 -178.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.59 19.52 12.1 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.867 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.613 ' HB2' HD11 ' A' ' 22' ' ' ILE . 16.3 p90 -135.88 158.48 44.31 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 122.304 0.242 . . . . 0.0 110.402 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.2 ttm-85 -102.29 158.31 16.28 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.559 ' HA ' HD21 ' A' ' 37' ' ' LEU . 33.4 tt0 -67.72 -4.34 11.95 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.091 0.556 . . . . 0.0 111.968 -175.158 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.65 -13.76 29.07 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.613 HD11 ' HB2' ' A' ' 18' ' ' TYR . 13.3 pt -99.42 30.98 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.811 -177.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 37' ' ' LEU . 6.9 m -60.34 -52.17 66.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -173.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -63.45 -40.88 98.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.125 0.488 . . . . 0.0 110.652 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -62.55 -56.91 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.719 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.2 tt -69.02 -30.71 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.94 -176.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 53.1 tp -62.33 -45.45 93.15 Favored 'General case' 0 C--O 1.206 -1.19 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.039 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -22.79 65.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.03 0.443 . . . . 0.0 111.54 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -86.78 -47.04 9.42 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.722 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -93.99 -4.93 48.75 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -48.39 -27.22 2.47 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 114.052 1.131 . . . . 0.0 114.052 -174.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -61.73 -30.75 70.98 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.098 0.475 . . . . 0.0 110.75 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -158.89 53.32 0.41 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.455 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.59 124.35 0.94 Allowed Glycine 0 C--N 1.337 0.586 0 C-N-CA 119.845 -1.169 . . . . 0.0 113.807 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 83.1 tt0 -102.3 90.0 3.76 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.06 128.05 43.94 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.838 -171.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.612 ' HB2' HG23 ' A' ' 23' ' ' THR . 10.0 mp 64.67 -169.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.111 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -124.08 16.63 9.23 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -173.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -121.49 80.87 1.72 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.664 0.745 . . . . 0.0 110.67 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.4 mt -87.87 -68.12 0.78 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.787 -175.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 54.97 -92.48 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.99 0.916 . . . . 0.0 112.488 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 m -91.85 102.3 14.89 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.496 ' HB3' HD12 ' A' ' 44' ' ' LEU . 27.3 mt-10 -100.2 -105.81 0.23 Allowed 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.075 -174.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.73 ' HB2' ' OE1' ' A' ' 48' ' ' GLU . 3.3 mp -118.66 -74.13 0.62 Allowed 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.474 -176.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.18 -169.78 13.2 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.987 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -105.01 -1.41 25.77 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.716 0.293 . . . . 0.0 111.447 -178.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.1 t -83.25 0.62 44.77 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.709 0.766 . . . . 0.0 109.807 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.73 ' OE1' ' HB2' ' A' ' 44' ' ' LEU . 47.8 mt-10 -89.57 26.44 1.72 Allowed 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.765 -177.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.404 ' HA ' ' HB3' ' A' ' 61' ' ' PRO . 7.7 m -63.43 -32.15 73.51 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 172.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.9 ttp -104.98 89.42 3.14 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 114.175 -1.375 . . . . 0.0 109.894 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.747 ' HB3' ' O ' ' A' ' 57' ' ' PHE . 84.4 mtt180 -118.14 140.58 49.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.603 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.579 ' OG1' ' HD2' ' A' ' 53' ' ' PRO . 1.9 t 168.94 158.62 0.17 Allowed Pre-proline 0 C--O 1.242 0.663 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -176.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.632 ' HG3' ' O ' ' A' ' 79' ' ' TYR . 5.8 Cg_exo -45.0 128.31 9.16 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 123.286 2.657 . . . . 0.0 112.068 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.58 -20.86 38.35 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -178.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -115.98 -68.16 0.94 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.48 ' HB2' ' HG2' ' A' ' 51' ' ' ARG . 93.5 m-85 -153.06 -163.13 1.62 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.747 ' O ' ' HB3' ' A' ' 51' ' ' ARG . 24.8 p90 -76.37 149.64 36.93 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.724 176.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.659 ' O ' ' HD3' ' A' ' 65' ' ' ARG . 4.9 pm0 -63.68 15.05 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 115.71 1.745 . . . . 0.0 115.71 -172.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.519 ' CG ' ' HA ' ' A' ' 64' ' ' ARG . 1.3 tm0? -71.09 140.22 50.6 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.335 0.588 . . . . 0.0 111.033 -178.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.533 ' HB2' ' HD2' ' A' ' 65' ' ' ARG . . . -83.13 146.17 50.84 Favored Pre-proline 0 C--N 1.306 -1.317 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.896 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.404 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 17.5 Cg_endo -56.99 -24.62 58.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.592 2.194 . . . . 0.0 112.898 -177.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -88.42 -50.85 6.06 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.923 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -138.95 156.3 47.35 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.519 ' HA ' ' CG ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -59.03 139.59 56.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.098 173.369 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.659 ' HD3' ' O ' ' A' ' 58' ' ' GLN . 65.6 mtp180 -111.17 4.63 19.43 Favored 'General case' 0 CA--C 1.5 -0.964 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.55 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.779 HG23 ' H ' ' A' ' 67' ' ' SER . 6.3 tt -50.64 -72.58 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 O-C-N 123.67 0.606 . . . . 0.0 110.679 178.313 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.779 ' H ' HG23 ' A' ' 66' ' ' ILE . 17.1 t 46.01 21.78 0.11 Allowed 'General case' 0 CA--C 1.561 1.383 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 177.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -83.35 147.52 27.87 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 122.027 -0.421 . . . . 0.0 110.652 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -75.22 111.56 10.59 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 121.332 0.587 . . . . 0.0 110.154 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.492 ' HA ' ' CZ3' ' A' ' 74' ' ' TRP . 6.1 p-80 -148.78 167.64 25.06 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.114 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.09 -140.55 8.35 Favored Glycine 0 N--CA 1.435 -1.432 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -104.41 146.29 29.05 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 18' ' ' TYR . 30.5 p 72.19 -11.2 0.81 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 124.625 1.17 . . . . 0.0 113.184 -178.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.492 ' CZ3' ' HA ' ' A' ' 70' ' ' HIS . 60.3 p-90 -134.46 129.53 35.36 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.969 0.414 . . . . 0.0 111.037 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.522 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 53.0 m -135.67 134.79 39.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.253 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -93.59 128.47 39.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.666 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.6 mt -112.47 119.75 39.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.794 0.331 . . . . 0.0 111.72 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.0 m -114.37 126.32 54.86 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.833 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.632 ' O ' ' HG3' ' A' ' 53' ' ' PRO . 25.5 m-85 -113.89 -4.2 13.32 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.589 0.356 . . . . 0.0 110.298 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.22 -5.28 1.36 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.269 0.628 . . . . 0.0 112.003 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -129.03 142.51 50.89 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.745 0.307 . . . . 0.0 111.222 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.5 p-80 -73.92 -19.19 60.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.945 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.3 m -60.36 -43.88 96.11 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.158 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 t -79.06 -25.0 43.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -59.24 -48.66 80.8 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.454 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.2 tp -64.18 -42.53 96.64 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.359 -176.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -69.82 -36.75 75.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.25 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.15 -12.12 60.5 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.427 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.28 -39.83 88.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.652 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 56.75 -120.65 1.44 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.113 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 54.48 41.74 31.77 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 121.928 0.87 . . . . 0.0 110.341 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -120.8 44.59 2.45 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.13 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.67 38.93 50.01 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.415 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.8 m -83.49 98.5 9.57 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.251 0.548 . . . . 0.0 111.638 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 94.8 mt -109.16 125.53 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.527 178.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -132.67 131.71 41.6 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 93.5 m 63.81 20.99 12.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.003 0.43 . . . . 0.0 111.756 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.18 -5.89 61.39 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.706 -0.759 . . . . 0.0 114.031 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.2 152.81 52.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.459 0.63 . . . . 0.0 111.22 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.43 134.82 33.73 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.1 pt -91.83 150.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.744 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.61 128.29 9.52 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 120.172 -1.013 . . . . 0.0 111.77 -178.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.514 ' SG ' HG13 ' A' ' 15' ' ' VAL . 35.0 m -131.7 111.38 11.62 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.415 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 19.5 m -139.6 159.27 66.08 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.906 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.415 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 21.9 Cg_endo -61.83 150.45 85.98 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.658 2.239 . . . . 0.0 111.7 177.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.517 ' CE1' HG13 ' A' ' 111' ' ' ILE . 73.3 t80 -56.46 117.73 4.12 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.227 0.536 . . . . 0.0 111.753 -177.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.485 ' O ' HG12 ' A' ' 111' ' ' ILE . 64.3 mttp -114.84 137.05 52.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.506 177.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -65.03 -46.08 82.82 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.616 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -67.81 -37.55 82.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.215 -178.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 64.5 tp -61.01 -44.64 97.13 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.972 0.415 . . . . 0.0 110.151 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.517 HG13 ' CE1' ' A' ' 106' ' ' TYR . 46.6 mm -63.66 -38.59 82.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.583 177.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.526 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 7.3 t -58.26 -45.86 87.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.442 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -66.55 -42.64 86.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.075 0.464 . . . . 0.0 110.515 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 74' ' ' TRP . 93.3 mt -63.58 -41.02 98.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.931 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.0 t -63.92 -24.26 67.66 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.486 -178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 112' ' ' SER . 28.7 mmt180 -66.44 -35.15 79.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.678 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 61.55 32.17 18.75 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.426 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -96.13 31.64 7.17 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.523 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 70.49 143.2 0.05 Allowed 'General case' 0 C--N 1.349 0.562 0 C-N-CA 123.77 0.828 . . . . 0.0 110.512 -178.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -64.29 120.55 12.4 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -62.91 133.18 54.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.002 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -65.36 108.02 1.82 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.349 0.595 . . . . 0.0 110.143 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -78.15 107.61 10.85 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.879 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.8 t60 . . . . . 0 C--N 1.313 -0.984 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.724 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 120.392 0.139 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -67.99 -41.5 82.22 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.51 ' H ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -127.42 140.08 52.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.162 0.506 . . . . 0.0 112.125 -178.56 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.95 -38.33 2.03 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.603 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 p -154.55 137.49 15.44 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -91.32 71.58 6.13 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-O 121.616 0.722 . . . . 0.0 110.052 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.1 p -126.75 -171.59 2.44 Favored 'General case' 0 N--CA 1.4 -2.937 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -105.73 27.79 8.13 Favored 'General case' 0 C--N 1.285 -2.214 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.128 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 m -78.33 56.42 1.72 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 121.298 0.571 . . . . 0.0 111.294 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.08 -14.82 10.49 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.864 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.46 ' ND2' ' HA ' ' A' ' 80' ' ' ALA . 31.2 p-10 -106.45 17.66 23.04 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.143 0.497 . . . . 0.0 110.903 -179.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.37 144.58 46.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.208 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.9 m -128.73 162.44 35.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.212 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.17 119.88 53.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.461 HG13 ' SG ' ' A' ' 103' ' ' CYS . 20.3 t -102.35 127.21 56.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -144.86 164.43 31.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.545 0.212 . . . . 0.0 111.462 -178.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.69 23.06 7.02 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.761 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.693 ' HB2' HD11 ' A' ' 22' ' ' ILE . 26.7 p90 -147.15 167.22 24.7 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 122.727 0.411 . . . . 0.0 110.287 -177.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -118.91 158.99 24.62 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.602 ' HA ' HD22 ' A' ' 37' ' ' LEU . 39.1 tt0 -78.08 46.35 0.59 Allowed 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.903 0.859 . . . . 0.0 111.108 -176.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.99 -7.75 3.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.502 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.693 HD11 ' HB2' ' A' ' 18' ' ' TYR . 30.8 pt -106.91 34.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.434 -177.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.483 HG21 ' HA ' ' A' ' 39' ' ' ASP . 23.2 m -50.94 -73.67 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.565 0 O-C-N 123.364 0.415 . . . . 0.0 112.039 -176.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.635 ' HD3' ' OE1' ' A' ' 43' ' ' GLU . 40.4 mmtm -50.58 -34.88 27.47 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.277 0.631 . . . . 0.0 112.078 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.474 ' HB3' ' OH ' ' A' ' 96' ' ' TYR . 59.7 mt-30 -66.61 -71.59 0.19 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.962 -176.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.62 ' HB ' HD12 ' A' ' 22' ' ' ILE . 16.9 tt -70.37 -31.92 48.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -175.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.595 HD13 ' H ' ' A' ' 36' ' ' ILE . 45.9 tp -60.99 -37.29 81.96 Favored 'General case' 0 C--O 1.211 -0.974 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.735 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.521 ' HA ' HD21 ' A' ' 44' ' ' LEU . . . -54.42 -25.73 26.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -90.83 -46.35 8.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -94.94 -10.18 31.85 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -174.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.536 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -55.36 -34.58 64.41 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -173.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -64.59 -20.65 66.38 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 120.762 0.315 . . . . 0.0 111.226 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -120.49 -5.88 9.79 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.621 ' HA3' HD21 ' A' ' 77' ' ' LEU . . . 171.74 158.1 15.07 Favored Glycine 0 C--O 1.224 -0.527 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.592 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' OE1' ' HD2' ' A' ' 51' ' ' ARG . 24.2 mm-40 -100.82 143.03 31.47 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 122.626 -0.338 . . . . 0.0 111.041 -177.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.623 HG22 ' HG ' ' A' ' 37' ' ' LEU . 62.4 mt -132.2 133.84 60.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.027 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.623 ' HG ' HG22 ' A' ' 36' ' ' ILE . 70.4 mt 72.98 -177.71 0.19 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.403 0.681 . . . . 0.0 112.806 177.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -81.51 93.48 6.68 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.948 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.483 ' HA ' HG21 ' A' ' 23' ' ' THR . 0.2 OUTLIER -88.67 171.4 10.04 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.076 177.551 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.718 ' HG ' ' OE2' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -135.7 30.96 3.1 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.335 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 40' ' ' LEU . 38.2 tt0 85.24 -53.0 0.09 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.413 0.685 . . . . 0.0 112.543 172.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.535 ' O ' ' HE3' ' A' ' 24' ' ' LYS . 37.3 m -90.18 86.72 6.61 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 177.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.718 ' OE2' ' HG ' ' A' ' 40' ' ' LEU . 59.1 mm-40 -118.63 -34.58 3.95 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.031 -173.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.557 ' HB2' ' HB2' ' A' ' 48' ' ' GLU . 62.3 mt -115.06 -165.98 1.07 Allowed 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.486 -175.225 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.3 -108.12 1.87 Allowed Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.47 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.99 -36.89 85.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.883 0.373 . . . . 0.0 111.594 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.465 ' O ' HG22 ' A' ' 47' ' ' THR . 9.8 m -94.72 29.93 2.19 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.681 0.753 . . . . 0.0 111.649 -177.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.557 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 42.0 tt0 -87.68 -10.26 51.79 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.255 0.55 . . . . 0.0 110.869 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 p -67.36 -22.07 65.59 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.9 ttp -121.31 92.57 3.78 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.789 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.471 ' HD2' ' OE1' ' A' ' 35' ' ' GLU . 26.4 mtm180 -125.6 137.47 53.9 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.768 173.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER 61.69 120.21 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 123.946 0.898 . . . . 0.0 111.562 -176.206 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.7 ' HG2' ' O ' ' A' ' 79' ' ' TYR . 36.4 Cg_exo -62.19 -19.32 66.27 Favored 'Trans proline' 0 C--N 1.326 -0.63 0 C-N-CA 123.419 2.746 . . . . 0.0 111.508 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.03 3.62 70.1 Favored Glycine 0 C--N 1.308 -1.01 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.588 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 73.38 87.29 0.1 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.068 0.947 . . . . 0.0 112.631 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 61.73 119.59 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -62.24 -45.07 94.96 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.563 -1.199 . . . . 0.0 111.168 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 62.66 99.0 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.982 0.913 . . . . 0.0 111.374 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -65.5 -38.5 89.92 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.499 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.418 ' HB1' HH11 ' A' ' 63' ' ' ARG . . . 58.08 104.34 0.03 OUTLIER Pre-proline 0 C--N 1.313 -0.999 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.941 -176.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.51 ' O ' ' HB3' ' A' ' 62' ' ' ASN . 51.7 Cg_exo -54.12 139.46 71.51 Favored 'Trans proline' 0 C--O 1.238 0.503 0 C-N-CA 122.234 1.956 . . . . 0.0 112.256 -177.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.51 ' HB3' ' O ' ' A' ' 61' ' ' PRO . 21.3 t-20 80.64 -15.49 0.74 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.047 0.939 . . . . 0.0 111.416 -177.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.422 ' HB3' ' H ' ' A' ' 64' ' ' ARG . 67.2 mtt85 -104.54 -158.74 0.68 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.491 0.663 . . . . 0.0 112.153 -177.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.422 ' H ' ' HB3' ' A' ' 63' ' ' ARG . 29.7 mtm180 -78.99 116.9 19.58 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.786 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -64.69 -40.51 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 110.872 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.2 tt -112.38 116.0 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-O 121.427 0.632 . . . . 0.0 109.755 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.8 t -84.17 55.73 3.45 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.705 0.764 . . . . 0.0 109.534 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -143.07 151.0 40.3 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.385 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HB3' ' HE2' ' A' ' 76' ' ' LYS . 43.7 tt0 -74.89 123.27 24.77 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.099 0.476 . . . . 0.0 110.509 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -139.65 155.8 47.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.043 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.08 -114.82 3.51 Favored Glycine 0 N--CA 1.44 -1.047 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 177.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -105.57 -72.25 0.72 Allowed 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 120.961 0.41 . . . . 0.0 111.018 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -105.09 11.44 33.26 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.145 -178.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -142.73 152.54 42.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.673 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.454 HG22 ' OH ' ' A' ' 18' ' ' TYR . 12.2 t -143.49 146.39 33.36 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 69' ' ' GLU . 36.8 ttpt -85.35 103.17 14.02 Favored 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 174.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.621 HD21 ' HA3' ' A' ' 34' ' ' GLY . 3.8 tt -95.55 121.45 37.25 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.423 0.63 . . . . 0.0 110.142 -173.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.415 ' N ' HD23 ' A' ' 77' ' ' LEU . 46.2 m -95.66 96.72 9.21 Favored 'General case' 0 N--CA 1.424 -1.736 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.721 178.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.7 ' O ' ' HG2' ' A' ' 53' ' ' PRO . 89.7 m-85 -72.36 -26.76 62.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.066 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.46 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . . . 73.18 -53.51 0.7 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.261 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -73.25 138.86 45.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.059 0.457 . . . . 0.0 111.441 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -80.99 -22.22 39.65 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.393 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.1 p -61.37 -45.93 92.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.811 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.5 t -86.7 -11.94 49.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.85 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.22 -47.14 87.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.951 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.16 -40.28 94.1 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.672 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -65.08 -22.59 66.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.585 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.526 ' O ' ' HB2' ' A' ' 103' ' ' CYS . . . -64.55 -21.35 66.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.564 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.26 -6.71 51.19 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.726 -178.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.463 HH12 HG21 ' A' ' 94' ' ' THR . 8.0 ptm180 -46.56 124.02 5.54 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.234 0.54 . . . . 0.0 111.286 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -128.37 -6.01 5.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.499 -176.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -61.49 100.54 0.14 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -175.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 38.53 65.42 0.74 Allowed Glycine 0 N--CA 1.472 1.066 0 CA-C-N 115.114 -0.948 . . . . 0.0 114.688 175.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.551 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 23.3 m -116.79 90.12 3.26 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.89 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 93.4 mt -106.34 119.39 55.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.474 ' OH ' ' HB3' ' A' ' 25' ' ' GLN . 9.1 t80 -137.19 133.37 35.1 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -177.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.9 t 67.51 16.43 9.94 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.16 0.505 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.06 -17.03 35.48 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.929 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.36 159.26 42.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.523 0.662 . . . . 0.0 111.605 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -76.53 138.02 39.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.779 177.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.2 pt -97.25 139.76 19.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.208 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.27 144.14 14.86 Favored Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.404 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' CYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 88' ' ' ALA . 49.6 m -131.33 103.42 6.44 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -115.15 159.73 36.74 Favored Pre-proline 0 C--N 1.314 -0.94 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.2 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.45 147.41 91.47 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.432 2.088 . . . . 0.0 111.384 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -57.39 122.87 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.258 0.552 . . . . 0.0 111.903 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -128.3 132.74 48.65 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.914 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -66.05 -40.95 91.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.031 0.444 . . . . 0.0 110.183 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -62.66 -36.64 83.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.733 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.464 ' O ' HD13 ' A' ' 114' ' ' LEU . 49.8 tp -62.75 -44.14 96.98 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.283 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.1 mm -63.16 -45.7 97.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.215 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.0 m -61.3 -40.05 92.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.18 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.56 -50.66 70.44 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.881 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 110' ' ' LEU . 11.3 mp -63.49 -38.01 89.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.628 178.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 34.2 t -60.56 -43.81 96.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.593 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -80.13 -6.17 57.26 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.903 0.382 . . . . 0.0 110.811 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 64.56 22.46 12.67 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.885 0.874 . . . . 0.0 112.088 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 77.97 -27.74 1.96 Allowed Glycine 0 CA--C 1.523 0.587 0 CA-C-N 115.788 -0.642 . . . . 0.0 114.235 176.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -85.58 116.46 23.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.037 0.446 . . . . 0.0 111.199 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -135.0 78.62 1.75 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.822 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -165.25 134.92 3.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.429 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -140.32 167.87 21.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.362 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -88.09 114.81 25.07 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 56.4 t60 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.082 -177.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 C--O 1.241 0.639 0 CA-C-O 121.164 0.507 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.12 140.14 37.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.976 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 m -123.45 159.74 27.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 120.926 0.393 . . . . 0.0 111.191 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.6 t -107.78 116.26 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 62.4 t -107.11 126.6 63.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.087 -178.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -139.36 159.11 42.93 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.961 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.91 34.58 5.39 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.617 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.493 ' HB2' HD11 ' A' ' 22' ' ' ILE . 55.5 p90 -132.45 162.85 30.12 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.534 ' O ' HG12 ' A' ' 22' ' ' ILE . 58.8 ttp180 -127.47 153.72 45.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.137 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 19.9 mp0 -68.77 4.73 1.33 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -177.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.41 0.7 45.85 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 120.657 0.265 . . . . 0.0 111.208 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 19' ' ' ARG . 19.8 pt -120.27 9.05 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -178.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.542 HG23 ' HB2' ' A' ' 37' ' ' LEU . 24.7 m -58.3 -46.82 85.39 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -173.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -61.22 -37.72 84.03 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.251 0.548 . . . . 0.0 109.74 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -78.95 -59.22 2.87 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.535 -176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.417 ' HB ' HD12 ' A' ' 22' ' ' ILE . 15.9 tt -66.55 -36.28 76.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -174.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.45 -37.3 86.78 Favored 'General case' 0 C--O 1.199 -1.583 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.655 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.09 -44.67 71.39 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.063 0.227 . . . . 0.0 111.505 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -64.34 -50.41 67.85 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.412 ' HB2' HD11 ' A' ' 36' ' ' ILE . 86.3 m-85 -81.37 -7.68 59.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.843 -175.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.553 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -58.52 -23.55 58.41 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.039 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -58.81 -30.28 67.51 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.479 0.657 . . . . 0.0 109.859 177.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -102.87 -45.78 4.88 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.558 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.553 ' O ' ' HA ' ' A' ' 31' ' ' ALA . . . -176.05 -163.14 28.18 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.13 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -110.31 156.39 20.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.767 0.283 . . . . 0.0 110.409 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.412 HD11 ' HB2' ' A' ' 30' ' ' PHE . 52.1 mt -114.75 -57.18 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -174.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.542 ' HB2' HG23 ' A' ' 23' ' ' THR . 5.5 mp -106.54 177.98 4.69 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.229 -0.188 . . . . 0.0 111.169 -178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -92.51 -19.86 21.54 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -174.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -88.73 98.83 11.91 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.38 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.2 tp . . . . . 0 N--CA 1.426 -1.667 0 CA-C-O 121.369 0.604 . . . . 0.0 110.805 -176.341 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 N--CA 1.45 -0.436 0 CA-C-O 121.296 0.569 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.72 150.89 23.32 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.147 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -74.75 127.36 32.97 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.992 -177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -122.51 150.02 43.13 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.413 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.59 -156.53 16.66 Favored Glycine 0 N--CA 1.436 -1.343 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.589 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -69.06 -44.6 72.27 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.806 0.336 . . . . 0.0 111.494 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.4 p -133.33 13.45 4.18 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.446 ' CD1' ' HB3' ' A' ' 114' ' ' LEU . 69.2 p-90 -139.31 150.37 45.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.485 0.184 . . . . 0.0 111.156 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 t -143.46 146.57 33.54 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 120.739 0.304 . . . . 0.0 110.939 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -93.34 108.58 20.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.3 mt -100.3 117.25 34.12 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.205 0.526 . . . . 0.0 110.474 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.1 m -110.67 120.92 43.99 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.748 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.444 ' C ' ' H ' ' A' ' 81' ' ' ASN . 77.5 m-85 -109.03 -9.07 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.622 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.67 -23.78 0.15 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.387 0.675 . . . . 0.0 112.472 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.444 ' H ' ' C ' ' A' ' 79' ' ' TYR . 3.8 m-20 -107.17 137.43 45.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.929 0.395 . . . . 0.0 110.645 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -68.04 -32.27 72.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.33 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 m -61.11 -47.82 84.53 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.018 0.437 . . . . 0.0 110.672 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -66.99 -36.68 82.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.274 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -58.62 -51.07 71.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.978 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.8 tp -68.98 -41.74 77.47 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.715 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -65.67 -39.51 91.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.777 0.323 . . . . 0.0 111.669 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.19 -13.78 59.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.56 ' O ' ' HB2' ' A' ' 103' ' ' CYS . 37.1 tp -62.51 -43.33 99.07 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.399 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.493 ' O ' ' HD2' ' A' ' 92' ' ' HIS . 27.1 mmt180 49.35 -113.08 0.58 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.943 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 56.46 26.4 10.81 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-O 121.773 0.797 . . . . 0.0 111.461 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.493 ' HD2' ' O ' ' A' ' 90' ' ' ARG . 24.1 m-70 -115.32 46.28 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.609 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.35 35.85 7.81 Favored Glycine 0 CA--C 1.501 -0.799 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.644 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.3 m -91.32 105.21 17.62 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 121.032 0.444 . . . . 0.0 110.824 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 96.3 mt -109.48 122.96 64.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.227 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -122.81 125.51 45.59 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.089 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 92.6 m 61.18 22.94 13.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.963 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.47 -7.95 58.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.422 -0.894 . . . . 0.0 113.668 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.84 144.58 51.56 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 117.385 0.593 . . . . 0.0 111.121 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -77.65 130.32 36.69 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.263 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.4 pt -86.0 149.6 4.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.37 106.72 2.26 Favored Glycine 0 N--CA 1.433 -1.565 0 C-N-CA 120.306 -0.949 . . . . 0.0 112.959 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.56 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 58.5 m -110.4 104.73 13.54 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 175.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.3 m -117.6 162.2 29.93 Favored Pre-proline 0 C--N 1.305 -1.358 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.348 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -64.72 152.98 79.98 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.541 2.161 . . . . 0.0 110.576 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -62.29 124.13 20.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.119 0.485 . . . . 0.0 111.542 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.509 ' O ' HG12 ' A' ' 111' ' ' ILE . 99.3 mttt -131.5 128.58 39.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.119 177.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -66.46 -42.98 86.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.58 0.229 . . . . 0.0 111.562 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.18 -35.01 79.73 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.075 0.464 . . . . 0.0 110.601 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 51.1 tp -62.48 -40.4 96.55 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.095 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 107' ' ' LYS . 45.1 mm -60.99 -43.59 96.4 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.155 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.4 m -60.04 -42.12 93.77 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.48 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.53 -43.42 85.23 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.208 0.527 . . . . 0.0 110.542 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 82.5 mt -63.15 -39.96 96.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.585 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.324 -0.513 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.824 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 . . . . . 0 C--O 1.236 0.388 0 CA-C-O 121.2 0.524 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.35 142.67 51.38 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.594 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -123.36 157.34 29.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 120.944 0.402 . . . . 0.0 111.322 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 103' ' ' CYS . 48.9 t -111.56 114.86 48.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.9 t -115.73 130.46 70.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 120.949 0.404 . . . . 0.0 110.219 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -144.56 156.2 44.03 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.76 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.71 -21.74 4.43 Favored Glycine 0 C--N 1.32 -0.323 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.474 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -99.73 150.8 21.93 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.933 0.397 . . . . 0.0 110.779 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -74.21 -83.3 0.05 Allowed 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -174.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 179.85 -52.56 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.451 0.643 . . . . 0.0 109.476 -174.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 0.37 3.78 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.699 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.408 HD12 ' HB ' ' A' ' 26' ' ' ILE . 1.6 pt -88.2 17.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.559 0.218 . . . . 0.0 110.799 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.523 HG21 ' HB3' ' A' ' 39' ' ' ASP . 35.8 m -45.11 -71.59 0.07 Allowed 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -176.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.16 -37.46 74.73 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -173.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.496 ' HG2' ' OH ' ' A' ' 96' ' ' TYR . 42.4 tt0 -61.93 -65.82 0.63 Allowed 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.72 -177.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.408 ' HB ' HD12 ' A' ' 22' ' ' ILE . 8.2 tt -70.03 -26.97 30.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 120.962 0.41 . . . . 0.0 111.793 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 23' ' ' THR . 36.5 tp -62.7 -37.51 86.76 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.441 -177.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.92 -34.84 57.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.841 0.353 . . . . 0.0 111.916 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -93.23 -44.0 8.55 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -85.85 -11.53 53.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.51 -19.75 63.72 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 118.125 0.42 . . . . 0.0 110.81 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -67.74 -27.59 66.92 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.164 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.49 ' HB3' ' CE1' ' A' ' 79' ' ' TYR . 89.8 m-85 -88.09 -51.36 5.83 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.603 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 177.23 -167.61 38.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.411 -0.9 . . . . 0.0 112.885 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -82.83 116.91 22.36 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.05 0.452 . . . . 0.0 110.173 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.472 ' O ' HG21 ' A' ' 75' ' ' THR . 38.1 mm -92.97 -53.34 8.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.541 -177.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.43 -172.91 3.62 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.857 -178.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 45.0 mt-10 -90.06 -138.85 0.14 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.868 -176.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.523 ' HB3' HG21 ' A' ' 23' ' ' THR . 10.0 t70 71.19 -75.26 0.08 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.3 0.64 . . . . 0.0 110.757 -176.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.2 mt . . . . . 0 N--CA 1.471 0.618 0 C-N-CA 124.876 1.27 . . . . 0.0 114.251 177.666 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 CA--C 1.542 0.663 0 CA-C-O 121.141 0.496 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -143.36 158.17 43.86 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -73.02 111.2 7.91 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.81 0.814 . . . . 0.0 111.47 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -129.31 128.27 42.83 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.016 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.47 -119.85 3.48 Favored Glycine 0 N--CA 1.433 -1.543 0 C-N-CA 120.427 -0.892 . . . . 0.0 110.968 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -91.48 -76.35 0.45 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 120.892 0.377 . . . . 0.0 109.993 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 p -107.6 3.01 24.38 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.13 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -113.08 135.92 53.27 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.509 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.472 HG21 ' O ' ' A' ' 36' ' ' ILE . 39.2 m -135.23 129.3 33.45 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.025 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -84.59 126.95 33.79 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 173.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.431 HD13 ' OH ' ' A' ' 79' ' ' TYR . 96.1 mt -112.89 115.55 28.62 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.223 0.535 . . . . 0.0 110.974 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 87.9 m -110.34 114.06 27.22 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.624 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 33' ' ' PHE . 92.9 m-85 -108.45 -1.52 19.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.91 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.71 -41.37 0.48 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.574 0.749 . . . . 0.0 112.396 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -86.36 140.75 29.74 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 120.966 0.413 . . . . 0.0 110.705 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.521 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 33.9 t-80 -84.59 -19.88 32.34 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.006 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.4 m -61.44 -40.2 93.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.703 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 p -80.14 -12.0 59.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.555 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.521 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 67.1 t80 -60.3 -46.72 88.88 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.042 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.98 -42.77 99.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.279 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.51 -40.01 81.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.184 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.51 -13.63 59.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.942 0.401 . . . . 0.0 111.466 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.588 ' HA ' ' SG ' ' A' ' 103' ' ' CYS . 39.8 tp -83.04 -6.56 59.54 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.173 -178.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -59.39 125.44 23.65 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.507 0.67 . . . . 0.0 112.474 -175.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -138.69 6.44 2.47 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.198 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -75.77 95.76 3.52 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.472 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 68.13 26.5 74.06 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.472 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.0 m -93.26 99.54 12.07 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.006 0.432 . . . . 0.0 111.325 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 96.8 mt -116.01 126.61 73.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.016 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.496 ' OH ' ' HG2' ' A' ' 25' ' ' GLN . 12.0 t80 -139.03 134.31 32.83 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.897 -178.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.4 t 69.2 12.45 8.46 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.114 0.483 . . . . 0.0 111.299 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.72 -0.93 52.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.094 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.82 156.13 48.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.961 0.381 . . . . 0.0 111.1 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -88.78 129.92 35.46 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.248 178.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 30.4 pt -84.93 132.87 30.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 120.999 0.428 . . . . 0.0 110.161 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.26 131.92 10.76 Favored Glycine 0 CA--C 1.496 -1.134 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.346 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.588 ' SG ' ' HA ' ' A' ' 89' ' ' LEU . 42.4 t -131.21 124.22 30.13 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.068 0.461 . . . . 0.0 110.315 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.7 m -132.5 161.57 62.44 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.308 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.37 154.42 73.69 Favored 'Trans proline' 0 C--O 1.24 0.58 0 C-N-CA 122.646 2.23 . . . . 0.0 111.595 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -59.26 106.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.184 0.516 . . . . 0.0 110.801 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.553 ' O ' HG12 ' A' ' 111' ' ' ILE . 57.8 mtmt -116.0 126.5 53.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.108 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -56.91 -41.3 77.9 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -177.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.19 -44.45 95.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.914 0.387 . . . . 0.0 110.869 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.554 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 59.8 tp -62.86 -43.28 99.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.564 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 107' ' ' LYS . 46.2 mm -62.31 -42.94 97.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.243 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 t -60.73 -45.03 95.83 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.318 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -64.82 -41.01 96.1 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.046 0.451 . . . . 0.0 110.924 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 88.8 mt -64.55 -38.53 91.33 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.251 0.548 . . . . 0.0 110.903 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 41.3 m . . . . . 0 CA--C 1.541 0.613 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.345 -178.874 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 . . . . . 0 C--O 1.236 0.369 0 CA-C-O 120.985 0.421 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.77 129.41 35.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.627 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.5 m -129.87 164.97 31.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.803 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.3 t -116.48 126.97 74.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.628 HG22 ' SG ' ' A' ' 103' ' ' CYS . 22.6 t -114.25 131.2 66.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -143.03 164.83 29.02 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.029 0.442 . . . . 0.0 111.868 -177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.77 -6.89 20.02 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.697 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.458 ' HB2' HG12 ' A' ' 22' ' ' ILE . 38.2 p90 -122.23 175.69 6.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.796 0.331 . . . . 0.0 111.154 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -136.27 164.87 27.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.381 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.492 ' HA ' HD23 ' A' ' 37' ' ' LEU . 16.9 tp10 -69.32 85.46 0.4 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.411 0.624 . . . . 0.0 109.438 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.47 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.02 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.458 HG12 ' HB2' ' A' ' 18' ' ' TYR . 2.8 pp -87.51 12.09 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.497 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.548 HG23 ' HB2' ' A' ' 37' ' ' LEU . 7.2 m -45.04 -72.88 0.05 OUTLIER 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 114.094 -1.412 . . . . 0.0 113.845 -173.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -61.17 -35.46 77.17 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 120.737 0.304 . . . . 0.0 111.563 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -61.24 -58.17 9.37 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.359 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.509 HG23 HG12 ' A' ' 36' ' ' ILE . 8.6 tt -69.95 -26.37 29.92 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 CA-C-O 121.203 0.525 . . . . 0.0 110.627 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 23' ' ' THR . 8.9 tt -60.95 -41.17 95.79 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.047 -178.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.86 -25.01 55.7 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -91.69 -49.18 6.42 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -89.94 -8.68 51.18 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -174.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.14 -3.94 12.14 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -55.29 -40.0 70.53 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -106.68 -9.96 16.31 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.007 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.15 166.86 41.49 Favored Glycine 0 C--O 1.224 -0.492 0 CA-C-N 115.736 -0.665 . . . . 0.0 114.457 175.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 66.45 112.66 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.068 0.947 . . . . 0.0 112.496 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.574 HG13 HD12 ' A' ' 37' ' ' LEU . 8.3 tp -145.65 -47.86 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 121.013 0.435 . . . . 0.0 111.332 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.574 HD12 HG13 ' A' ' 36' ' ' ILE . 6.7 mp -144.38 -169.87 3.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -178.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -81.51 -47.99 12.41 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.413 ' HB3' HG21 ' A' ' 23' ' ' THR . 13.6 t70 -72.47 115.27 11.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.549 0.69 . . . . 0.0 110.661 -175.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.443 -0.82 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.019 -171.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.976 0.417 . . . . 0.0 111.373 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 76' ' ' LYS . 5.7 tpm_? -82.46 154.68 25.0 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.682 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -74.53 145.05 43.78 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.009 0.433 . . . . 0.0 110.767 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -134.14 161.24 35.42 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.104 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.555 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -110.28 -118.4 3.94 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.301 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -111.64 -73.17 0.68 Allowed 'General case' 0 CA--C 1.502 -0.872 0 CA-C-O 120.834 0.349 . . . . 0.0 110.723 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 p -102.44 13.15 35.3 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.11 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.555 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 38.4 p-90 -137.32 140.66 41.65 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.518 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.4 m -130.11 129.02 43.0 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.301 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.501 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 87.0 tttt -86.45 131.06 34.28 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 176.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.6 mt -126.59 134.94 50.68 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.72 0.295 . . . . 0.0 111.654 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 83.1 m -112.22 100.28 8.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.996 0.427 . . . . 0.0 110.492 176.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.472 ' HB3' ' OG ' ' A' ' 84' ' ' SER . 96.3 m-85 -78.67 -24.4 45.15 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.618 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.8 -34.51 0.3 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.75 0.82 . . . . 0.0 112.842 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -100.79 141.27 33.91 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.639 0.257 . . . . 0.0 110.745 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -66.09 -35.49 80.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.337 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 m -58.13 -45.95 86.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.138 0.494 . . . . 0.0 110.213 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.472 ' OG ' ' HB3' ' A' ' 79' ' ' TYR . 4.1 p -74.66 -32.05 62.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.561 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -59.74 -49.34 78.1 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.641 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.6 tp -70.44 -27.05 63.95 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.6 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.655 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 93.4 mtt180 -76.3 -14.15 60.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.609 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 103' ' ' CYS . . . -75.4 -13.3 60.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.011 0.434 . . . . 0.0 111.302 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.89 -4.28 27.25 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 123.377 0.671 . . . . 0.0 112.748 -176.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 87' ' ' ARG . 31.2 mmm180 -47.65 89.66 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -176.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -158.84 88.72 0.91 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.773 0.797 . . . . 0.0 109.312 174.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -136.36 30.69 2.93 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.99 38.37 2.52 Favored Glycine 0 N--CA 1.434 -1.441 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -174.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.723 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 4.1 m -84.07 81.24 8.88 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-O 121.126 0.489 . . . . 0.0 111.633 -175.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.515 HD13 ' N ' ' A' ' 100' ' ' ALA . 3.2 mm -85.49 116.7 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.547 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -128.87 127.51 41.98 Favored 'General case' 0 N--CA 1.432 -1.352 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 16.1 t 64.32 13.92 8.36 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.032 0.444 . . . . 0.0 111.131 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.24 -17.4 16.86 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.858 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.44 153.66 51.8 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 117.74 0.77 . . . . 0.0 112.533 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.723 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -82.42 140.85 33.2 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.495 -179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 38.0 pt -102.92 126.15 57.2 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.61 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -116.11 131.98 9.92 Favored Glycine 0 N--CA 1.437 -1.253 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.358 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.628 ' SG ' HG22 ' A' ' 15' ' ' VAL . 48.1 t -131.06 134.4 46.6 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 120.952 0.406 . . . . 0.0 110.751 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.0 m -137.72 166.65 24.76 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.098 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.12 150.78 85.37 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.199 1.933 . . . . 0.0 110.818 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -54.45 110.66 0.66 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.286 0.565 . . . . 0.0 111.455 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.477 ' O ' HG12 ' A' ' 111' ' ' ILE . 71.7 mmtt -110.94 125.93 54.21 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.362 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -64.47 -41.03 96.73 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.262 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.84 -39.33 93.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.171 0.51 . . . . 0.0 109.914 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.21 -41.69 98.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.607 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 107' ' ' LYS . 36.7 mm -62.28 -43.34 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.234 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.4 m -59.93 -44.02 94.59 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.171 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -62.57 -45.78 91.36 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.098 0.475 . . . . 0.0 110.815 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.503 HD13 ' CG ' ' A' ' 74' ' ' TRP . 96.9 mt -64.85 -40.67 95.52 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.841 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.326 -0.454 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.28 179.783 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 121.29 0.567 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.89 141.74 51.18 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.229 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.425 HG13 ' CE1' ' A' ' 85' ' ' TYR . 29.7 m -118.54 156.54 20.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-O 121.028 0.442 . . . . 0.0 110.951 -178.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.6 t -106.59 119.85 56.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.47 HG22 ' SG ' ' A' ' 103' ' ' CYS . 57.2 t -100.34 121.47 51.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -141.88 164.84 29.11 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.982 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.17 -17.62 7.98 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.136 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -96.01 171.9 8.34 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 110.537 -0.171 . . . . 0.0 110.537 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -90.0 -83.14 0.25 Allowed 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -178.32 -42.25 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.132 0.491 . . . . 0.0 110.115 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.08 24.51 3.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -176.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 pp -109.62 8.36 8.96 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.341 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 m -57.97 -46.03 85.8 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.252 -174.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HE2' ' OD2' ' A' ' 39' ' ' ASP . 70.5 mmtt -48.97 -36.53 17.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 122.715 0.406 . . . . 0.0 111.611 -177.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.5 -60.98 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.6 tt -66.53 -29.09 45.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -174.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.3 tp -60.91 -43.52 98.45 Favored 'General case' 0 C--O 1.21 -0.99 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -176.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.15 -22.83 43.04 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -86.98 -48.05 8.44 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -92.1 -8.63 45.2 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -175.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.97 -14.41 60.14 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 120.813 0.34 . . . . 0.0 111.281 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.22 -25.32 65.15 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.174 0.511 . . . . 0.0 110.001 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -109.88 -44.24 3.85 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.379 -176.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -158.65 -162.3 11.78 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 119.826 -1.178 . . . . 0.0 113.532 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' CD ' HH21 ' A' ' 68' ' ' ARG . 0.0 OUTLIER -111.23 136.71 49.93 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.931 0.492 . . . . 0.0 111.588 -178.255 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.731 HG22 HD12 ' A' ' 37' ' ' LEU . 59.2 mt -132.56 132.24 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.731 HD12 HG22 ' A' ' 36' ' ' ILE . 1.5 mp 69.14 -178.93 0.22 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.194 0.597 . . . . 0.0 111.37 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -103.55 -41.43 5.98 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.471 ' OD2' ' HE2' ' A' ' 24' ' ' LYS . 38.9 t70 -78.53 96.44 5.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.079 0.466 . . . . 0.0 110.165 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.8 mt . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.25 -174.347 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.235 0.338 0 CA-C-O 121.762 0.791 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.64 ' NH1' ' HB ' ' A' ' 78' ' ' THR . 39.3 ttm-85 -123.9 154.82 39.17 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.957 -1.019 . . . . 0.0 108.776 -177.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -75.05 139.77 43.07 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.082 0.468 . . . . 0.0 111.248 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -157.02 159.71 38.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.858 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.68 -79.94 1.49 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 109.799 -1.321 . . . . 0.0 109.799 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -174.57 -43.32 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 123.131 0.572 . . . . 0.0 110.249 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.1 p -96.44 -5.72 38.99 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.135 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -147.05 145.99 29.85 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.085 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.4 HG23 ' CD2' ' A' ' 77' ' ' LEU . 14.8 t -143.85 147.44 34.07 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 173.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -85.84 122.52 30.03 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.052 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.4 ' CD2' HG23 ' A' ' 75' ' ' THR . 4.4 mm? -98.96 114.62 27.34 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.27 0.557 . . . . 0.0 111.258 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.64 ' HB ' ' NH1' ' A' ' 68' ' ' ARG . 19.0 m -111.86 96.24 5.95 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.696 178.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -89.73 -15.14 33.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.28 -45.71 0.62 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.723 0.809 . . . . 0.0 111.976 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -79.65 137.96 37.24 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 121.053 0.454 . . . . 0.0 110.677 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.464 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 67.0 t60 -66.85 -37.84 85.22 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.538 -178.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.616 ' O ' ' HG2' ' A' ' 87' ' ' ARG . 4.1 p -60.88 -48.17 83.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.465 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.9 p -68.74 -29.08 67.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.055 0.455 . . . . 0.0 110.969 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 63.9 t80 -59.79 -49.52 77.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.599 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.3 tp -67.12 -34.14 76.97 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.237 -177.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 83' ' ' SER . 39.0 mmt180 -65.88 -17.21 64.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.767 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.19 -12.22 30.82 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.9 tp -60.15 -49.12 78.89 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 111.633 0.234 . . . . 0.0 111.633 -175.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 46.26 34.55 2.24 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 176.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -91.83 61.99 4.26 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.182 0.515 . . . . 0.0 110.129 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -168.08 91.6 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 50.57 36.31 31.27 Favored Glycine 0 N--CA 1.465 0.607 0 CA-C-N 116.051 -0.522 . . . . 0.0 113.782 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 30.9 m -96.63 85.19 3.8 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.265 0.555 . . . . 0.0 110.517 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.533 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 82.5 mt -99.83 120.93 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.429 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -116.35 122.98 46.47 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.9 t 70.37 -52.79 0.65 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.85 0.86 . . . . 0.0 112.438 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -160.45 -25.24 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.196 -1.002 . . . . 0.0 113.566 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.75 155.89 49.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.317 0.559 . . . . 0.0 111.328 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.533 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -73.47 141.28 46.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.171 177.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 38.5 pt -89.36 129.19 40.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 CA-C-O 121.042 0.449 . . . . 0.0 109.939 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.98 124.26 8.18 Favored Glycine 0 N--CA 1.436 -1.33 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.297 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.47 ' SG ' HG22 ' A' ' 15' ' ' VAL . 38.5 m -127.74 119.87 26.7 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 120.957 0.408 . . . . 0.0 110.273 178.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.4 m -133.27 158.48 75.62 Favored Pre-proline 0 C--N 1.315 -0.899 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -61.21 147.28 96.04 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.211 1.941 . . . . 0.0 110.724 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -56.51 123.33 14.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.15 0.5 . . . . 0.0 111.598 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -135.5 151.9 50.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.883 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -64.53 -48.2 75.96 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.283 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 113' ' ' GLU . 9.6 tp10 -66.73 -34.98 79.05 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.124 -178.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.533 ' O ' HD23 ' A' ' 114' ' ' LEU . 2.8 tm? -58.88 -47.79 83.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.882 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.2 mm -64.93 -43.15 96.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.277 0.56 . . . . 0.0 110.344 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.7 m -61.41 -40.74 95.51 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.595 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 68.4 mt-10 -66.72 -42.91 85.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 111.312 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 110' ' ' LEU . 2.8 mm? -64.57 -38.56 91.42 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.991 0.424 . . . . 0.0 111.578 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.2 p . . . . . 0 C--N 1.321 -0.651 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 -176.801 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.3 m120 . . . . . 0 N--CA 1.455 -0.215 0 CA-C-O 121.009 0.433 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.52 140.15 34.71 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.782 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.1 m -133.58 164.5 34.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.949 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.2 t -118.29 128.38 75.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.583 HG22 ' SG ' ' A' ' 103' ' ' CYS . 8.3 t -109.18 135.1 49.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -145.52 157.82 43.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.892 0.377 . . . . 0.0 111.79 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.89 35.47 2.19 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.69 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.5 ' HB2' HD11 ' A' ' 22' ' ' ILE . 31.9 p90 -151.64 168.05 26.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.871 0.336 . . . . 0.0 111.372 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -133.92 167.8 19.93 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.989 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.98 93.29 1.36 Allowed 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 178.79 -33.38 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.784 0.802 . . . . 0.0 109.489 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.5 HD11 ' HB2' ' A' ' 18' ' ' TYR . 2.9 pp -99.27 16.95 3.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.525 -177.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.463 HG23 ' HB2' ' A' ' 37' ' ' LEU . 19.6 m -58.74 -48.46 81.11 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -173.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -61.26 -37.15 82.07 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.412 -176.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.08 -54.23 28.33 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.05 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.527 HG23 ' CD1' ' A' ' 30' ' ' PHE . 8.4 mt -64.69 -39.93 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.604 0.24 . . . . 0.0 111.338 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.485 HD22 ' HB2' ' A' ' 31' ' ' ALA . 1.2 tm? -57.89 -41.42 82.51 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.897 177.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.96 -29.07 69.43 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.404 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 85.2 t80 -93.72 -47.35 6.82 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.527 ' CD1' HG23 ' A' ' 26' ' ' ILE . 60.3 m-85 -84.62 -6.55 59.37 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -174.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.485 ' HB2' HD22 ' A' ' 27' ' ' LEU . . . -59.99 -6.79 1.46 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -64.43 -28.96 70.03 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.981 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.24 -69.37 0.44 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -98.89 177.17 30.16 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 115.811 1.084 . . . . 0.0 115.811 -171.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -108.67 130.59 55.34 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.033 0.933 . . . . 0.0 109.345 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.569 HG13 HD21 ' A' ' 77' ' ' LEU . 2.8 mp -131.33 137.63 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.371 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.536 HD12 HG22 ' A' ' 36' ' ' ILE . 2.0 mp 64.59 -167.48 0.22 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.368 0.667 . . . . 0.0 111.588 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -123.06 -11.48 8.05 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -175.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -90.02 82.84 6.08 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.263 0.554 . . . . 0.0 110.949 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.59 -178.562 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m . . . . . 0 N--CA 1.443 -0.815 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.515 ' HD3' ' HB3' ' A' ' 76' ' ' LYS . 47.5 ttt85 -85.9 136.46 33.28 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.397 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.07 152.72 38.59 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.927 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -113.63 152.14 30.79 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.586 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.08 -63.98 1.76 Allowed Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.724 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 -161.62 -54.4 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.3 p -126.26 20.37 7.46 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 63.5 p-90 -136.26 147.66 47.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.013 0.435 . . . . 0.0 111.78 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.6 m -136.6 135.32 38.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.542 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.515 ' HB3' ' HD3' ' A' ' 68' ' ' ARG . 86.4 tttt -90.91 122.52 33.67 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.569 HD21 HG13 ' A' ' 36' ' ' ILE . 68.3 mt -105.57 108.06 19.38 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 121.055 0.455 . . . . 0.0 110.641 177.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.0 m -100.18 95.73 7.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.47 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 89.0 m-85 -76.99 -31.61 56.63 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.586 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.66 10.51 7.11 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.634 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 79' ' ' TYR . 9.3 p30 -136.55 147.92 47.3 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -78.69 -23.27 45.72 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.554 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.8 m -59.33 -60.69 3.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.719 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.1 p -73.92 -16.48 61.1 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -59.54 -48.33 82.06 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 120.782 0.325 . . . . 0.0 110.458 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.87 -37.7 88.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.136 0.493 . . . . 0.0 111.155 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -66.71 -23.71 66.15 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.522 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.577 ' O ' ' HB3' ' A' ' 103' ' ' CYS . . . -78.68 -14.61 59.21 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.6 mp -75.49 -3.53 34.52 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 90' ' ' ARG . 10.8 ptp85 -43.01 120.27 1.75 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.434 0.635 . . . . 0.0 112.524 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.06 85.01 0.59 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -150.25 24.31 0.82 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.746 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.32 38.95 4.37 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.845 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.469 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 35.1 m -75.32 94.98 3.11 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 97.4 mt -82.91 121.52 36.08 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.593 -178.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -134.71 128.82 33.72 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 70.7 m 64.57 14.35 8.9 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 121.081 0.467 . . . . 0.0 111.097 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.5 -15.41 42.08 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 121.09 -0.576 . . . . 0.0 113.857 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.79 151.27 43.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.589 0.695 . . . . 0.0 111.332 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -81.66 110.04 16.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.851 0.358 . . . . 0.0 110.71 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 47.7 pt -85.47 164.38 2.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.105 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -150.09 156.35 26.69 Favored Glycine 0 N--CA 1.44 -1.052 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.31 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.583 ' SG ' HG22 ' A' ' 15' ' ' VAL . 42.7 t -142.67 136.91 29.53 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.1 m -129.63 165.98 29.15 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.585 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.91 150.05 85.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.644 2.229 . . . . 0.0 111.235 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -61.89 126.39 27.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.432 0.634 . . . . 0.0 112.109 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -127.59 125.87 41.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.146 -0.933 . . . . 0.0 109.019 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -65.16 -36.04 82.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.165 0.507 . . . . 0.0 110.14 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -69.39 -35.53 75.88 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.146 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 62.2 tp -63.36 -42.51 98.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.751 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 47.6 mm -61.52 -46.71 96.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.058 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.5 p -63.6 -43.45 96.88 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.35 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -65.43 -40.34 93.21 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.773 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 86.7 mt -62.41 -42.65 99.59 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 120.918 0.389 . . . . 0.0 110.747 178.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 CA--C 1.535 0.388 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.787 178.601 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 . . . . . 0 C--O 1.24 0.586 0 CA-C-O 120.795 0.331 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.78 144.58 36.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.07 0.462 . . . . 0.0 111.325 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.9 m -126.64 160.65 34.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.95 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -112.15 124.19 68.63 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.9 t -117.65 129.74 73.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -142.66 155.12 44.88 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -176.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.37 20.14 4.82 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.688 -0.687 . . . . 0.0 113.098 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.578 ' HB2' HD11 ' A' ' 22' ' ' ILE . 42.6 p90 -143.32 165.04 28.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.151 0.475 . . . . 0.0 112.001 -178.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.56 ' O ' HG12 ' A' ' 22' ' ' ILE . 46.6 ttp180 -107.31 151.35 25.6 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.761 -175.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.598 ' HA ' HD22 ' A' ' 37' ' ' LEU . 10.0 tp10 -54.27 -32.64 56.71 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.855 0.862 . . . . 0.0 113.051 -175.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.74 -11.83 60.07 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 18' ' ' TYR . 5.2 pt -86.5 23.92 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -174.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.552 HG21 ' O ' ' A' ' 39' ' ' ASP . 13.1 m -59.15 -44.04 92.07 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.759 0.314 . . . . 0.0 111.45 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 3.5 mppt? -61.84 -21.85 65.01 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.914 0.387 . . . . 0.0 111.34 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -93.02 -67.44 0.86 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.164 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.454 ' CG1' HD12 ' A' ' 22' ' ' ILE . 8.7 mm -64.28 -43.91 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.539 ' HB3' ' O ' ' A' ' 23' ' ' THR . 8.3 tt -60.04 -29.73 68.71 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.76 99.44 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 120.784 0.326 . . . . 0.0 111.553 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -89.24 -44.53 10.2 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.876 0.37 . . . . 0.0 111.713 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.536 ' HD2' ' CE1' ' A' ' 33' ' ' PHE . 22.1 m-85 -77.63 -0.88 28.26 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.221 1.008 . . . . 0.0 113.542 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -42.11 -13.01 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -61.34 -39.5 90.81 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.536 ' CE1' ' HD2' ' A' ' 30' ' ' PHE . 69.8 m-85 -65.74 -36.9 84.88 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.943 177.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.26 -118.35 5.0 Favored Glycine 0 N--CA 1.429 -1.8 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.408 -176.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -90.28 98.31 11.7 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.919 0.39 . . . . 0.0 110.771 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.8 mm -67.61 -44.33 86.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.832 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.598 HD22 ' HA ' ' A' ' 20' ' ' GLU . 71.3 mt -128.03 161.62 28.75 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.654 -174.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -81.73 -19.6 41.1 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.545 0.688 . . . . 0.0 110.068 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.552 ' O ' HG21 ' A' ' 23' ' ' THR . 12.4 t70 -69.52 143.69 53.37 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tt . . . . . 0 C--N 1.317 -0.815 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.784 -177.819 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.45 -0.438 0 CA-C-O 121.394 0.616 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -99.89 140.07 34.64 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.46 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -75.27 145.27 42.01 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.976 0.417 . . . . 0.0 111.575 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -150.94 162.57 40.55 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.918 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -116.29 -150.64 9.51 Favored Glycine 0 N--CA 1.437 -1.283 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.085 -177.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -62.73 -49.42 75.13 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.0 p -135.45 12.42 3.5 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.787 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -129.69 142.3 50.75 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.965 -178.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.439 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 89.4 m -133.27 133.15 42.25 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -95.57 105.04 16.97 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.5 mt -100.74 127.35 47.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.593 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.1 m -113.14 121.68 45.26 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.728 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.501 ' HE2' ' HB2' ' A' ' 88' ' ' ALA . 21.0 m-85 -87.01 -28.37 22.67 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 117.009 -0.087 . . . . 0.0 111.232 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 79' ' ' TYR . . . 80.9 -1.31 1.81 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.844 0.858 . . . . 0.0 111.76 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -128.76 138.05 51.89 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 120.661 0.267 . . . . 0.0 110.56 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.451 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 16.1 t60 -67.22 -37.41 83.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.029 -178.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m -61.06 -44.81 96.82 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.103 0.478 . . . . 0.0 109.864 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -67.7 -33.87 75.77 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.257 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.451 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 30.9 t80 -57.88 -48.19 80.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.168 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.4 tp -66.29 -31.93 73.03 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-O 121.086 0.469 . . . . 0.0 111.345 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -79.8 -9.83 59.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.177 0.513 . . . . 0.0 111.265 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.501 ' HB2' ' HE2' ' A' ' 79' ' ' TYR . . . -91.19 -10.21 42.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.597 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.2 tp -58.43 -43.68 88.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.462 -174.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 47.44 -137.45 0.79 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.819 0.448 . . . . 0.0 111.886 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 62.18 26.85 16.14 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.94 0.896 . . . . 0.0 111.729 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -112.4 80.78 1.38 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.993 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 67.38 29.89 74.69 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.679 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.4 m -85.49 89.11 7.61 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.131 0.491 . . . . 0.0 110.953 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.9 mt -108.19 128.11 63.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.137 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -132.4 133.22 43.65 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.367 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.0 t 63.44 13.55 7.23 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.004 0.521 . . . . 0.0 111.63 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.15 10.07 55.01 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.307 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.76 148.41 47.23 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.989 0.394 . . . . 0.0 110.722 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.46 125.85 35.71 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.174 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 49.5 pt -91.86 145.85 7.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.028 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.33 129.46 9.9 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.183 -1.008 . . . . 0.0 112.023 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 56.2 m -130.86 111.8 12.43 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.5 m -139.75 164.81 35.51 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.683 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.53 157.49 61.62 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.36 2.04 . . . . 0.0 110.17 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.411 ' CE2' HG12 ' A' ' 111' ' ' ILE . 52.5 t80 -59.76 117.01 4.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.901 0.381 . . . . 0.0 111.044 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.472 ' O ' HD13 ' A' ' 111' ' ' ILE . 2.1 mptm? -116.05 135.72 53.69 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 174.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -64.09 -40.5 96.36 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.129 0.49 . . . . 0.0 110.463 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.53 -39.98 92.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.286 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.468 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 59.5 tp -61.93 -46.86 87.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 110.658 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.472 HD13 ' O ' ' A' ' 107' ' ' LYS . 1.7 mp -62.87 -40.73 89.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.542 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 t -58.56 -47.54 83.87 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.068 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.88 -39.76 87.61 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.141 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 92.6 mt -62.64 -38.92 92.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.999 0.428 . . . . 0.0 110.765 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.3 t . . . . . 0 N--CA 1.444 -0.757 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.908 176.614 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 . . . . . 0 C--O 1.234 0.259 0 CA-C-O 121.086 0.469 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.25 144.2 27.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.211 177.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -132.87 160.36 42.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.882 0.372 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.4 t -106.15 117.76 52.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 102' ' ' GLY . 21.5 t -109.56 130.45 62.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -141.81 167.83 21.21 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.36 -7.95 12.36 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.455 ' HE2' HG12 ' A' ' 15' ' ' VAL . 36.2 p90 -128.35 167.96 16.22 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.637 0.256 . . . . 0.0 110.662 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.41 ' O ' HG13 ' A' ' 22' ' ' ILE . 33.2 ptt-85 -120.86 158.56 27.35 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.526 -177.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.475 ' HA ' HD22 ' A' ' 37' ' ' LEU . 34.1 tt0 -73.31 84.3 1.42 Allowed 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.05 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.418 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.414 ' H ' HG13 ' A' ' 22' ' ' ILE . 2.8 pp -89.79 27.35 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.524 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.9 m -43.6 -69.3 0.14 Allowed 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 124.404 1.082 . . . . 0.0 112.899 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -61.48 -34.03 74.79 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -175.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -58.41 -68.66 0.23 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.998 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.6 tt -70.56 -27.1 29.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.784 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.47 ' HG ' ' HB2' ' A' ' 31' ' ' ALA . 40.5 tp -61.28 -37.43 83.13 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -178.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.14 -28.01 16.4 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -93.99 -47.52 6.67 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.481 ' CB ' HD11 ' A' ' 36' ' ' ILE . 69.2 m-85 -87.31 -8.5 56.64 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -173.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.47 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . . . -60.39 -25.79 66.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.617 0.246 . . . . 0.0 111.113 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -63.01 -31.86 73.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.993 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -88.95 -44.21 10.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.478 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 169.57 -178.71 42.46 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.093 -1.051 . . . . 0.0 113.243 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 2.0 pm0 -75.19 150.77 38.59 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 122.944 0.498 . . . . 0.0 110.22 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.481 HD11 ' CB ' ' A' ' 30' ' ' PHE . 61.0 mt -120.67 -83.51 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -174.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 20' ' ' GLU . 2.4 mt -67.17 -75.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.347 -173.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -175.89 39.83 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -59.57 136.64 58.04 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.024 -1.444 . . . . 0.0 112.965 -175.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.675 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.2 -178.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.575 ' NH1' HG23 ' A' ' 75' ' ' THR . 1.9 ttp-105 -95.14 143.47 26.55 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.996 177.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 42.2 tt0 -86.42 149.72 24.81 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -146.24 132.5 19.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.336 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.15 -51.21 0.95 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.492 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -122.65 -143.1 0.33 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.798 0.333 . . . . 0.0 110.371 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 p -77.79 36.02 0.21 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.407 ' CG ' HD13 ' A' ' 114' ' ' LEU . 58.6 p-90 -128.56 136.62 50.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.06 0.457 . . . . 0.0 111.506 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.575 HG23 ' NH1' ' A' ' 68' ' ' ARG . 96.6 m -136.56 120.92 18.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.819 178.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.496 ' H ' ' HD2' ' A' ' 68' ' ' ARG . 40.0 ttpt -86.48 117.22 25.13 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 tt -106.78 123.79 48.66 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -177.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.4 m -95.4 96.34 9.05 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.411 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.544 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 70.3 m-85 -70.21 -42.39 72.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.799 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.67 -44.72 0.59 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.502 0.721 . . . . 0.0 111.517 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.613 ' ND2' ' HB2' ' A' ' 84' ' ' SER . 0.2 OUTLIER -74.27 126.6 31.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.075 0.464 . . . . 0.0 110.747 176.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.446 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 49.6 t-80 -66.73 -39.21 87.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.13 -176.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.5 t -60.03 -44.5 94.58 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 120.7 0.286 . . . . 0.0 111.46 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.613 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 21.3 m -78.47 -17.4 56.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.619 0.247 . . . . 0.0 110.876 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.446 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 82.2 t80 -61.18 -47.17 87.4 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.25 -39.32 92.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.267 0.556 . . . . 0.0 110.634 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -59.96 -29.74 68.62 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.868 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.24 -13.53 60.79 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.68 -2.7 37.37 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -62.27 36.17 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.355 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -81.49 75.6 8.44 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -137.07 -70.51 0.45 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.208 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -122.47 29.01 5.59 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.835 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.2 m -92.69 93.87 8.71 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.161 0.505 . . . . 0.0 110.913 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.6 mt -113.37 127.17 70.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.104 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -132.01 135.84 46.82 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 30.7 t 64.17 16.88 10.34 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.313 0.578 . . . . 0.0 110.99 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.27 6.86 64.29 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.365 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.71 146.27 52.15 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.811 0.305 . . . . 0.0 110.931 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.5 124.82 33.86 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.8 pt -84.99 132.45 31.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 121.102 0.477 . . . . 0.0 110.498 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.534 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -99.44 146.0 17.79 Favored Glycine 0 N--CA 1.441 -1.032 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.848 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 65.5 m -143.33 111.57 6.21 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.905 0.383 . . . . 0.0 110.329 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.9 m -119.63 153.63 54.35 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.495 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.3 45.92 1.49 Allowed 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.242 2.628 . . . . 0.0 112.697 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 63.9 t80 58.7 111.72 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.202 1.001 . . . . 0.0 112.579 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.437 ' O ' HG12 ' A' ' 111' ' ' ILE . 99.6 mttt -123.87 129.91 51.75 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.849 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -65.07 -33.73 76.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.286 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -66.18 -38.97 89.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.328 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 57.2 tp -61.82 -42.01 98.49 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.869 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 107' ' ' LYS . 44.3 mm -62.45 -43.04 97.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.942 179.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.4 m -61.57 -44.99 96.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -64.96 -42.66 94.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.777 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 94.9 mt -63.48 -43.36 97.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.908 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.2 p . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.301 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 121.402 0.62 . . . . 0.0 109.525 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.32 140.34 30.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.314 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -125.57 159.25 33.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -114.98 124.32 71.53 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.3 t -110.99 125.11 68.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -134.73 165.92 24.15 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 120.804 0.335 . . . . 0.0 111.548 -177.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.97 -6.56 10.25 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.181 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -132.11 -176.84 4.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.958 0.409 . . . . 0.0 111.145 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.88 163.82 30.5 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.658 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.476 ' HG2' HD23 ' A' ' 37' ' ' LEU . 1.5 tm-20 -74.28 89.81 2.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.35 0.595 . . . . 0.0 109.811 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.07 -32.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.269 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.407 HD13 HD12 ' A' ' 26' ' ' ILE . 2.9 pp -86.66 19.91 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.721 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.421 HG21 ' O ' ' A' ' 39' ' ' ASP . 22.0 m -51.49 -49.42 61.89 Favored 'General case' 0 C--O 1.206 -1.213 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -56.77 -35.43 68.65 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -175.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -75.95 -68.73 0.55 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.407 HD12 HD13 ' A' ' 22' ' ' ILE . 25.2 mt -64.87 -30.0 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -175.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 23' ' ' THR . 44.7 tp -59.86 -44.47 94.12 Favored 'General case' 0 C--O 1.205 -1.248 0 C-N-CA 121.249 -0.18 . . . . 0.0 110.692 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.69 84.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.943 0.401 . . . . 0.0 110.843 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -63.46 -48.21 78.62 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.08 -178.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -94.2 -7.92 40.83 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.691 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -65.18 -4.26 4.84 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.043 0.449 . . . . 0.0 111.523 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -58.86 -35.7 73.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.085 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -135.47 9.62 3.42 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.429 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.691 ' O ' ' HA ' ' A' ' 31' ' ' ALA . . . -172.84 -162.32 24.75 Favored Glycine 0 C--O 1.224 -0.501 0 C-N-CA 119.957 -1.116 . . . . 0.0 112.861 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -142.82 147.06 34.83 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.403 ' H ' ' CD1' ' A' ' 27' ' ' LEU . 13.1 mt -138.02 153.46 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.699 0.285 . . . . 0.0 111.324 -176.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.476 HD23 ' HG2' ' A' ' 20' ' ' GLU . 2.1 mp 68.76 -176.1 0.2 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.626 0.77 . . . . 0.0 111.737 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -118.77 32.47 6.12 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.421 ' O ' HG21 ' A' ' 23' ' ' THR . 22.6 t70 -143.56 141.67 30.78 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--N 1.317 -0.809 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.454 -177.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 CA--C 1.539 0.552 0 CA-C-O 121.121 0.486 . . . . 0.0 111.763 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -125.87 153.55 43.99 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.185 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 45.7 tt0 -74.74 139.57 43.49 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.286 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.3 p-80 -144.34 164.85 29.58 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.304 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.06 -138.14 8.19 Favored Glycine 0 N--CA 1.438 -1.224 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -101.51 -46.45 4.98 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 120.907 0.384 . . . . 0.0 111.302 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 p -112.13 2.85 16.92 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.611 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -138.33 145.77 41.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.843 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.0 m -127.82 126.79 42.33 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.444 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 69' ' ' GLU . 37.9 ttpt -97.49 108.83 21.63 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 pp -126.77 140.18 52.57 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.433 0.635 . . . . 0.0 112.061 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.532 HG22 ' H ' ' A' ' 80' ' ' ALA . 33.2 m -112.43 125.38 54.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.341 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -87.98 -7.42 57.12 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.682 0.277 . . . . 0.0 110.804 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.532 ' H ' HG22 ' A' ' 78' ' ' THR . . . 65.03 14.88 9.66 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.203 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -145.55 163.92 33.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.187 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -93.9 -20.38 20.09 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 120.74 0.305 . . . . 0.0 110.986 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.4 m -60.64 -45.71 93.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.322 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.3 t -87.02 -16.49 35.52 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.644 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -60.38 -52.47 65.1 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.597 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.7 -40.26 72.99 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.074 0.464 . . . . 0.0 111.883 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -63.49 -38.39 90.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.675 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.94 -19.99 65.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.08 -5.12 24.63 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -51.5 127.66 20.72 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -126.23 -119.97 0.26 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.492 -0.776 . . . . 0.0 108.965 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 54.66 -96.47 0.06 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.381 0.672 . . . . 0.0 112.756 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.81 8.12 59.54 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.62 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.4 m -74.91 85.44 2.24 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.607 0.717 . . . . 0.0 109.787 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.7 mt -113.65 124.29 70.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.001 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -126.84 134.9 50.43 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.4 t 62.77 19.85 11.73 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.24 0.543 . . . . 0.0 110.832 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.28 14.2 64.49 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.114 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.87 146.87 38.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.969 0.385 . . . . 0.0 110.661 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.17 138.98 50.03 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 57.3 mt -84.49 128.28 39.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.77 99.6 2.09 Favored Glycine 0 N--CA 1.433 -1.513 0 C-N-CA 120.261 -0.971 . . . . 0.0 112.352 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 58.9 m -111.43 110.08 20.36 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.7 m -136.75 158.49 72.97 Favored Pre-proline 0 C--N 1.315 -0.916 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.024 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.85 152.93 76.17 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.358 2.039 . . . . 0.0 111.06 176.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -56.72 127.65 32.56 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.131 0.491 . . . . 0.0 111.612 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -133.63 137.96 45.68 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -67.92 -40.9 83.3 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.079 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' ' 113' ' ' GLU . 43.2 tt0 -66.47 -35.27 79.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.759 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.85 -42.55 93.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.834 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.5 mm -61.43 -47.28 94.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.646 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.0 p -65.1 -39.33 92.98 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 60.8 mm-40 -63.14 -50.14 71.62 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 120.896 0.379 . . . . 0.0 110.978 -177.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.46 -37.21 86.75 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 56.6 m . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -178.155 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.2 m120 . . . . . 0 C--O 1.235 0.307 0 CA-C-O 121.488 0.661 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.19 145.16 38.99 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.764 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.2 m -118.42 155.21 20.51 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.54 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.8 t -115.2 126.76 72.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.3 t -115.13 132.24 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.117 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -141.38 164.96 28.82 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.007 -178.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.16 -10.06 9.47 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.86 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -121.03 -173.27 2.57 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.478 0.18 . . . . 0.0 111.069 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.699 ' O ' HG13 ' A' ' 22' ' ' ILE . 43.0 ttp180 -137.34 169.32 17.98 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.33 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HA ' HD22 ' A' ' 37' ' ' LEU . 34.1 tt0 -58.68 -29.34 66.54 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.122 0.569 . . . . 0.0 112.385 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.41 -14.0 61.52 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.699 HG13 ' O ' ' A' ' 19' ' ' ARG . 2.6 pp -107.33 13.82 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.559 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 92.7 m -50.64 -46.31 58.27 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -176.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -54.07 -36.29 62.98 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 123.381 0.426 . . . . 0.0 111.669 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -71.5 -57.18 4.66 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.3 mm -68.03 -22.43 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 121.572 0.701 . . . . 0.0 110.644 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.585 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 34.2 tp -60.33 -41.73 94.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.675 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.55 78.6 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -92.41 -72.36 0.6 Allowed 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -69.35 -37.68 77.76 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.784 ' HB2' HG12 ' A' ' 36' ' ' ILE . . . -79.68 -3.74 48.66 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -59.87 -30.84 69.26 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.239 0.543 . . . . 0.0 109.979 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -116.48 7.25 13.71 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.175 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.79 -138.87 2.5 Favored Glycine 0 C--O 1.224 -0.478 0 C-N-CA 119.639 -1.267 . . . . 0.0 113.91 -176.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -143.43 142.66 31.3 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.784 HG12 ' HB2' ' A' ' 31' ' ' ALA . 8.7 mm -123.44 -80.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.392 -178.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 20' ' ' GLU . 4.2 mp -114.61 -175.65 2.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.985 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -95.22 -177.49 4.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.899 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.2 t70 70.38 83.36 0.15 Allowed 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.719 0.771 . . . . 0.0 109.402 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--N 1.318 -0.768 0 CA-C-N 115.326 -0.852 . . . . 0.0 113.27 -171.623 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.9 m . . . . . 0 CA--C 1.532 0.285 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.435 ' HB3' ' HE3' ' A' ' 76' ' ' LYS . 43.0 mtm-85 -126.1 155.67 41.24 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.944 -178.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -74.23 125.5 28.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.932 0.396 . . . . 0.0 110.142 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -123.1 166.99 14.25 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.985 -177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.4 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -100.26 -150.46 24.77 Favored Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -89.61 -55.95 3.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.973 0.416 . . . . 0.0 111.632 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 p -112.12 11.55 20.4 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.44 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.4 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 67.9 p-90 -139.58 148.37 42.44 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.241 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 t -143.33 147.52 34.83 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.435 ' HE3' ' HB3' ' A' ' 68' ' ' ARG . 65.7 pttt -95.79 133.55 39.78 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.264 -0.575 . . . . 0.0 109.94 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.9 mt -104.9 116.25 31.67 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.278 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.8 m -110.68 111.48 22.7 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.457 ' HB3' ' OG ' ' A' ' 84' ' ' SER . 53.8 m-85 -101.06 -2.24 32.11 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -177.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 67.44 -55.47 0.47 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.546 0.738 . . . . 0.0 112.261 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -83.63 141.83 31.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.891 0.377 . . . . 0.0 110.454 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 85' ' ' TYR . 48.9 t60 -66.85 -34.09 77.04 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.672 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.2 p -60.84 -46.92 88.65 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.499 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.457 ' OG ' ' HB3' ' A' ' 79' ' ' TYR . 8.3 p -74.44 -32.34 62.59 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 177.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.427 ' HB3' ' HA ' ' A' ' 82' ' ' HIS . 45.5 t80 -59.39 -48.05 83.12 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.624 178.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 89' ' ' LEU . 51.2 tp -63.28 -39.06 93.53 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-O 120.747 0.308 . . . . 0.0 111.534 -177.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.519 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 77.9 mtt85 -68.39 -18.24 64.41 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.66 -12.58 60.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.833 0.349 . . . . 0.0 111.025 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 4.0 mm? -70.29 -3.94 19.59 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.55 0.74 . . . . 0.0 112.898 -178.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 87' ' ' ARG . 44.2 mmt180 -31.37 100.03 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.006 0.922 . . . . 0.0 113.469 -179.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -165.24 78.3 0.3 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -128.42 37.46 4.13 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.62 23.42 50.44 Favored Glycine 0 N--CA 1.439 -1.107 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -175.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.509 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 25.0 m -65.29 106.13 1.28 Allowed 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.143 -0.529 . . . . 0.0 110.464 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 86.5 mt -93.09 120.63 42.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.157 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.438 ' HD1' ' HG ' ' A' ' 97' ' ' CYS . 11.3 t80 -142.54 135.27 28.14 Favored 'General case' 0 N--CA 1.438 -1.074 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . 0.438 ' HG ' ' HD1' ' A' ' 96' ' ' TYR . 98.1 m 69.41 16.63 8.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.895 0.379 . . . . 0.0 111.511 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.33 -9.24 53.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.853 -0.689 . . . . 0.0 113.931 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -145.37 161.25 40.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.089 0.445 . . . . 0.0 110.696 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -74.98 132.17 41.18 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.154 177.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 41.5 pt -87.19 131.79 34.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.923 0.392 . . . . 0.0 110.456 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.66 124.4 8.22 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.67 -176.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 34.8 t -125.19 126.35 45.09 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.942 0.401 . . . . 0.0 110.814 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.411 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 19.7 m -141.66 158.12 63.59 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 22.1 Cg_endo -61.22 152.5 71.62 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.452 2.101 . . . . 0.0 111.568 178.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -58.78 117.83 5.04 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.217 0.532 . . . . 0.0 111.102 -177.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.554 ' O ' HG12 ' A' ' 111' ' ' ILE . 98.1 mttt -131.0 139.08 49.93 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.089 177.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -60.43 -41.02 93.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.779 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -63.59 -42.2 98.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.955 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.525 ' O ' HD13 ' A' ' 114' ' ' LEU . 34.7 tp -61.14 -45.35 95.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.238 0.542 . . . . 0.0 110.019 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 107' ' ' LYS . 47.0 mm -62.75 -43.33 98.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.57 -179.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.3 m -61.04 -46.55 90.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.873 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.9 -47.2 75.58 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.132 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 110' ' ' LEU . 10.9 mp -64.32 -41.87 96.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 59.3 m . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.973 0.416 . . . . 0.0 111.317 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.0 p30 . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.52 130.51 37.06 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.787 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -126.06 160.1 33.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.6 t -112.64 118.03 56.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.457 HG12 ' HE2' ' A' ' 18' ' ' TYR . 45.3 t -113.89 126.38 71.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -142.36 168.83 18.8 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.391 -177.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.58 -11.35 10.37 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.195 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.457 ' HE2' HG12 ' A' ' 15' ' ' VAL . 37.4 p90 -113.74 -172.38 2.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.438 0.161 . . . . 0.0 110.863 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.607 ' O ' HG13 ' A' ' 22' ' ' ILE . 23.0 ptt180 -135.72 173.67 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.896 0.379 . . . . 0.0 111.29 -176.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.5 -38.61 84.57 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.387 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.6 -14.06 48.02 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -174.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.607 HG13 ' O ' ' A' ' 19' ' ' ARG . 2.6 pp -97.29 27.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 122.108 -0.37 . . . . 0.0 111.46 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.639 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 30.6 m -44.26 -71.45 0.08 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HE2' ' HB3' ' A' ' 40' ' ' LEU . 3.6 mptp? -60.13 -29.48 68.66 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -176.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.451 ' HB3' ' CE1' ' A' ' 96' ' ' TYR . 81.1 mt-30 -60.77 -71.36 0.14 Allowed 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -177.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.492 HG22 HG21 ' A' ' 36' ' ' ILE . 27.3 mt -68.89 -23.41 27.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 CA-C-O 120.92 0.39 . . . . 0.0 111.744 -179.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 23' ' ' THR . 25.9 tp -58.81 -46.49 87.49 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.289 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.01 70.23 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.48 ' HD2' ' CD2' ' A' ' 30' ' ' PHE . 86.6 t80 -85.64 -48.27 9.04 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CD2' ' HD2' ' A' ' 29' ' ' TYR . 24.0 m-85 -85.8 -3.85 59.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -177.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -38.19 -29.32 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.732 1.213 . . . . 0.0 114.073 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -56.96 -30.18 63.85 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.084 0.468 . . . . 0.0 110.866 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.449 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 96.5 m-85 -88.85 -43.79 10.95 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.976 178.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.491 ' O ' HG12 ' A' ' 36' ' ' ILE . . . 114.42 -95.81 0.75 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.643 -0.789 . . . . 0.0 114.102 175.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.549 ' O ' HD22 ' A' ' 77' ' ' LEU . 9.4 pt-20 -59.69 114.61 2.84 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-O 120.845 0.355 . . . . 0.0 111.607 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.492 HG21 HG22 ' A' ' 26' ' ' ILE . 37.2 mm -134.4 -63.47 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 121.308 0.575 . . . . 0.0 110.543 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.528 ' CD1' ' HA ' ' A' ' 23' ' ' THR . 71.3 mt -132.33 -167.03 1.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.079 -177.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -59.78 -42.72 93.98 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.501 0.501 . . . . 0.0 111.551 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.479 ' OD1' HD21 ' A' ' 27' ' ' LEU . 21.9 t70 71.78 171.79 0.31 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.623 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.478 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 40.8 tp . . . . . 0 N--CA 1.433 -1.314 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.586 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 CA--C 1.511 -0.536 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -80.93 152.87 27.84 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.209 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -74.28 125.73 29.08 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.84 -176.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -152.38 168.27 25.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.767 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.46 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -99.71 -78.82 1.4 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.193 -1.003 . . . . 0.0 112.147 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.9 ttp85 -169.8 -56.18 0.02 OUTLIER 'General case' 0 CA--C 1.495 -1.157 0 CA-C-O 121.603 0.716 . . . . 0.0 109.741 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.8 p -103.72 2.52 33.13 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.924 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.46 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 59.5 p-90 -142.11 144.18 33.39 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.414 -1.266 . . . . 0.0 108.891 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.5 m -126.29 126.85 44.65 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -84.96 108.25 17.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.549 HD22 ' O ' ' A' ' 35' ' ' GLU . 31.9 mt -92.77 116.57 29.14 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.064 -174.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.3 m -112.86 113.3 25.31 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.992 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -104.01 -15.52 15.58 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.08 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.06 6.07 5.43 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.233 0.613 . . . . 0.0 110.901 -176.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -127.32 142.89 51.33 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.723 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.51 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 69.6 t60 -87.78 -24.03 23.89 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.2 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.5 t -63.44 -41.49 98.66 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.061 0.457 . . . . 0.0 110.901 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.7 p -67.78 -20.05 65.16 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.574 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.51 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 57.9 t80 -60.0 -49.82 76.15 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.431 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.57 -41.32 88.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.109 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -63.75 -43.52 96.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.613 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.449 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -81.34 -12.87 58.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.79 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 85' ' ' TYR . 27.4 tp -67.15 -8.13 28.72 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.106 0.562 . . . . 0.0 112.222 -175.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.522 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 32.4 ptt-85 -72.72 87.89 1.28 Allowed 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -176.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -83.57 -35.66 24.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.45 0.643 . . . . 0.0 110.048 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -83.0 127.41 33.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.449 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.45 -4.66 66.97 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.822 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 m -109.78 87.57 2.54 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-O 121.249 0.547 . . . . 0.0 110.547 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.5 mt -112.39 118.84 58.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.937 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.451 ' CE1' ' HB3' ' A' ' 25' ' ' GLN . 12.6 t80 -126.46 134.32 50.99 Favored 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.8 t 62.13 25.46 15.25 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.222 0.534 . . . . 0.0 111.061 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.51 19.12 66.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.172 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -142.91 149.41 38.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.848 0.356 . . . . 0.0 111.084 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.44 126.41 41.61 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 46.1 pt -85.73 134.67 26.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-O 120.986 0.422 . . . . 0.0 110.22 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -99.21 110.96 4.11 Favored Glycine 0 N--CA 1.436 -1.332 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.51 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 35.6 m -104.88 101.38 10.97 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.7 m -124.61 157.92 63.84 Favored Pre-proline 0 C--N 1.311 -1.095 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.927 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -61.8 153.2 69.51 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 122.431 2.088 . . . . 0.0 111.086 177.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -61.78 98.7 0.1 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.222 0.534 . . . . 0.0 111.379 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.475 ' O ' HG12 ' A' ' 111' ' ' ILE . 68.2 mttm -97.98 129.55 44.86 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.472 177.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -65.8 -42.42 90.74 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -68.97 -35.22 76.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.649 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 52.0 tp -61.91 -39.8 93.28 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.858 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 107' ' ' LYS . 36.7 mm -61.56 -43.83 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.945 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.3 m -59.81 -41.28 90.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.928 0.394 . . . . 0.0 110.256 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -62.26 -44.77 95.78 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 4.0 pp -88.83 -13.99 38.02 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 -176.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--N 1.313 -1.0 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.935 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 N--CA 1.47 0.533 0 CA-C-O 121.077 0.465 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.3 143.98 30.91 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.648 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 76' ' ' LYS . 28.4 m -120.36 156.81 23.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 120.876 0.37 . . . . 0.0 110.794 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.4 t -110.23 118.0 56.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.8 t -110.19 128.63 66.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -143.77 168.82 19.02 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.871 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.38 6.73 56.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.768 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.517 ' HB2' HD11 ' A' ' 22' ' ' ILE . 47.3 p90 -106.46 156.76 18.21 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.886 0.374 . . . . 0.0 110.264 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.8 ttm-85 -108.4 148.56 29.95 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.577 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -74.75 67.36 1.59 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.691 0.757 . . . . 0.0 110.226 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.5 -36.09 0.13 Allowed 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.126 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.517 HD11 ' HB2' ' A' ' 18' ' ' TYR . 2.4 pp -82.86 30.2 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.204 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.721 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 55.9 m -46.71 -76.68 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -174.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -18.45 61.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.947 0.403 . . . . 0.0 111.269 -176.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.482 ' HB3' ' OH ' ' A' ' 96' ' ' TYR . 22.5 mp0 -63.62 -48.55 76.88 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.457 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.5 tt -96.49 -14.79 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-O 121.156 0.503 . . . . 0.0 110.86 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.721 ' HB2' ' O ' ' A' ' 23' ' ' THR . 11.4 tp -61.58 -41.88 98.06 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.755 -177.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -12.74 60.43 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -94.78 -63.35 1.18 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.795 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -89.63 -35.78 15.65 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.849 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -65.57 -8.45 20.02 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -171.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -61.43 -25.52 67.26 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 120.653 0.263 . . . . 0.0 111.086 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -128.63 15.99 6.46 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.365 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.849 ' O ' ' HA ' ' A' ' 31' ' ' ALA . . . 171.26 125.88 0.84 Allowed Glycine 0 C--O 1.22 -0.755 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.625 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -59.73 141.9 54.24 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.089 0.404 . . . . 0.0 112.089 -178.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.8 mm -110.58 -60.06 3.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.574 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 23' ' ' THR . 5.8 mp -105.14 169.73 8.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.216 0.532 . . . . 0.0 111.796 -178.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.24 -22.63 33.05 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.807 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.508 ' HB3' HG21 ' A' ' 23' ' ' THR . 32.8 t70 -82.76 145.68 29.41 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.594 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -178.567 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 CA--C 1.547 0.86 0 CA-C-O 121.156 0.503 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -136.4 157.03 47.77 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 178.724 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.21 153.21 39.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.642 0.258 . . . . 0.0 111.063 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.496 ' HB2' ' HA ' ' A' ' 75' ' ' THR . 51.6 p-80 -156.61 -177.88 6.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.016 -177.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.96 -159.1 9.47 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -76.04 128.73 35.63 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.934 0.397 . . . . 0.0 111.032 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.0 p 57.9 10.03 1.04 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 55.6 p-90 -143.79 140.34 29.84 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 120.746 0.307 . . . . 0.0 110.672 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.496 ' HA ' ' HB2' ' A' ' 70' ' ' HIS . 12.0 t -142.5 147.75 36.54 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.015 0.436 . . . . 0.0 111.098 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 21.9 ptmt -109.48 118.59 37.02 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 176.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -126.14 148.29 49.43 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.31 0.576 . . . . 0.0 111.817 -176.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.2 m -111.67 117.67 33.53 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -86.47 -16.93 35.56 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.359 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.44 -63.82 0.41 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.651 0.781 . . . . 0.0 111.243 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.61 136.19 43.9 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.159 0.504 . . . . 0.0 111.041 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.474 ' HA ' ' HB3' ' A' ' 85' ' ' TYR . 47.0 p-80 -68.66 -27.64 66.18 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.148 -178.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 m -60.65 -47.22 87.2 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.038 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -72.64 -35.01 67.67 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.362 0.601 . . . . 0.0 110.244 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.474 ' HB3' ' HA ' ' A' ' 82' ' ' HIS . 59.4 t80 -60.42 -52.38 65.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.494 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.5 tp -63.67 -36.77 84.94 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 121.13 0.491 . . . . 0.0 111.022 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.92 -25.42 67.57 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.675 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.83 -11.66 59.56 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.198 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.99 -7.0 52.37 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -68.24 118.53 11.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.088 0.47 . . . . 0.0 110.938 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -141.87 4.42 1.68 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.201 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -64.82 -45.85 84.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -144.19 26.42 2.02 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 119.963 -1.113 . . . . 0.0 112.991 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.3 m -89.61 97.92 11.47 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.408 0.623 . . . . 0.0 110.506 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 78.1 mt -114.25 127.61 71.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.125 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.482 ' OH ' ' HB3' ' A' ' 25' ' ' GLN . 10.7 t80 -140.23 139.98 35.72 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.3 t 72.54 17.93 4.52 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.326 0.584 . . . . 0.0 110.59 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.1 0.06 66.14 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.516 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.406 ' C ' HG23 ' A' ' 95' ' ' ILE . . . -145.43 153.09 40.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.975 0.387 . . . . 0.0 111.133 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -69.94 137.77 51.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.006 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.4 pt -90.12 138.24 19.84 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.132 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.65 119.11 6.36 Favored Glycine 0 N--CA 1.434 -1.461 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.438 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 49.7 t -130.74 117.76 19.88 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.9 m -140.89 158.65 64.64 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.774 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.44 149.47 90.75 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.223 1.949 . . . . 0.0 111.225 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -53.68 126.75 23.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.731 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.547 ' O ' HG12 ' A' ' 111' ' ' ILE . 68.2 mttm -129.79 127.1 39.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.622 177.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -61.09 -41.37 96.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.314 0.578 . . . . 0.0 110.197 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.77 -41.72 95.64 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.908 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.46 -42.05 99.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.52 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 107' ' ' LYS . 46.3 mm -61.97 -41.52 91.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.85 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.9 m -59.08 -43.41 91.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.293 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -65.62 -44.18 87.27 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.63 0.252 . . . . 0.0 110.735 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.31 -42.3 99.0 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.6 p . . . . . 0 N--CA 1.444 -0.737 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.641 -179.191 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.3 p30 . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.65 138.41 53.94 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 76' ' ' LYS . 27.7 m -124.06 156.64 31.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 120.985 0.421 . . . . 0.0 110.966 -178.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.506 HG23 ' HA ' ' A' ' 106' ' ' TYR . 59.6 t -111.87 111.55 36.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.283 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 176.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.473 HG12 ' HE2' ' A' ' 18' ' ' TYR . 10.4 t -100.19 127.63 52.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -144.06 165.23 28.37 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.983 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.09 -11.2 10.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.357 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.473 ' HE2' HG12 ' A' ' 15' ' ' VAL . 23.8 p90 -107.54 163.21 13.26 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.499 0.19 . . . . 0.0 111.219 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -85.07 -86.59 0.13 Allowed 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -175.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -165.16 -65.91 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 111.093 -174.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.33 8.13 2.41 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.79 -177.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.448 HG12 ' HB2' ' A' ' 18' ' ' TYR . 2.9 pp -84.5 1.87 4.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.555 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.408 HG21 ' O ' ' A' ' 39' ' ' ASP . 10.9 m -59.39 -45.89 90.22 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -51.85 -35.02 43.23 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.245 0.545 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.567 ' HB3' ' OH ' ' A' ' 96' ' ' TYR . 98.4 mt-30 -77.68 -62.18 1.75 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.991 -178.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.0 tt -66.77 -27.33 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -175.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.98 -33.41 74.26 Favored 'General case' 0 C--O 1.203 -1.345 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.223 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.7 -36.92 58.1 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -89.92 -45.94 8.88 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -83.38 -7.06 59.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -173.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.16 -25.73 61.85 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.553 0.216 . . . . 0.0 111.431 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -62.05 -33.45 74.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.152 0.501 . . . . 0.0 110.259 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -76.7 -48.62 18.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.772 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.66 -139.84 6.78 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 119.862 -1.161 . . . . 0.0 113.97 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.415 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 13.7 pt-20 -86.74 148.92 25.22 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.898 0.879 . . . . 0.0 111.692 -176.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.3 mt -137.35 -76.09 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 120.786 0.327 . . . . 0.0 111.544 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mp -98.37 169.63 9.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.364 0.602 . . . . 0.0 112.337 -177.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -69.77 -36.59 75.88 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.63 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.408 ' O ' HG21 ' A' ' 23' ' ' THR . 32.9 t70 -80.45 110.46 15.93 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.691 -178.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--N 1.314 -0.946 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.406 -178.697 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -98.19 159.4 14.96 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.723 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -71.74 130.35 40.89 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.208 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.0 p-80 -123.91 144.8 49.55 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.115 0.483 . . . . 0.0 111.494 -177.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.406 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -98.0 -163.58 31.09 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.644 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -78.48 -54.03 6.59 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.2 p -114.11 8.83 17.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 121.258 0.552 . . . . 0.0 111.504 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.406 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 65.0 p-90 -137.26 146.52 44.83 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.26 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.7 m -127.53 127.23 43.62 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.969 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 39.6 ttpt -91.01 116.77 29.06 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -112.56 129.1 56.48 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.8 m -110.6 111.09 22.08 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -88.78 -23.36 22.9 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.54 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.88 -61.72 0.44 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.747 0.819 . . . . 0.0 111.227 -178.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -75.74 130.91 39.41 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.083 0.468 . . . . 0.0 110.205 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -77.47 -13.55 59.89 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.413 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.7 m -59.1 -45.34 91.14 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.267 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -93.2 -14.46 27.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.07 0.462 . . . . 0.0 111.031 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -60.7 -47.52 85.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.668 -177.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.6 mp -63.33 -38.65 91.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -60.11 -43.59 95.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.357 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.72 -12.84 58.45 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.844 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.1 tp -67.06 -6.86 19.04 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.013 0.525 . . . . 0.0 112.398 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -66.36 105.97 1.59 Allowed 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.544 0.688 . . . . 0.0 112.186 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.07 7.42 18.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.662 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -123.47 142.85 50.59 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.953 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.02 32.37 83.96 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.333 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.5 m -135.96 91.93 2.75 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 121.237 0.541 . . . . 0.0 110.887 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.522 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 98.0 mt -113.47 125.74 70.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.939 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.567 ' OH ' ' HB3' ' A' ' 25' ' ' GLN . 42.2 t80 -136.92 140.81 42.56 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.293 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.6 t 70.42 -15.39 0.36 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.61 0.764 . . . . 0.0 112.388 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.07 -18.97 2.91 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.687 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.04 155.7 45.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.707 0.289 . . . . 0.0 110.949 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -73.79 134.66 43.43 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.166 177.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.7 pt -91.59 120.42 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.457 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -99.36 111.94 4.34 Favored Glycine 0 N--CA 1.431 -1.693 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.169 -177.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 48.0 t -113.08 103.29 11.22 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.438 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 13.6 m -132.9 161.71 61.99 Favored Pre-proline 0 C--N 1.316 -0.871 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.306 -178.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.438 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 16.2 Cg_endo -58.8 151.83 61.49 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.218 1.945 . . . . 0.0 111.563 178.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.506 ' HA ' HG23 ' A' ' 14' ' ' VAL . 83.2 t80 -34.83 -67.26 0.15 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -174.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 63.24 124.56 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.718 0.77 . . . . 0.0 112.535 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -67.4 -44.26 79.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.815 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -69.37 -34.22 74.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.147 -178.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.438 ' O ' HD13 ' A' ' 114' ' ' LEU . 46.0 tp -61.06 -41.69 97.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.818 -177.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.8 mm -61.65 -43.57 97.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.1 m -60.94 -40.82 94.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.07 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -64.05 -43.06 96.68 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.272 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 110' ' ' LEU . 10.8 mp -74.42 -9.77 58.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.004 0.43 . . . . 0.0 111.817 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 53.0 m . . . . . 0 C--N 1.32 -0.701 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.655 178.303 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 . . . . . 0 C--O 1.236 0.359 0 CA-C-O 120.88 0.371 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.91 131.88 34.2 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.087 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.96 162.43 37.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.564 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.4 t -116.25 119.58 62.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.394 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.509 HG12 ' HE2' ' A' ' 18' ' ' TYR . 21.3 t -104.88 128.36 58.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -136.69 165.9 24.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.202 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.81 -6.97 13.48 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.54 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.556 ' HB2' HD11 ' A' ' 22' ' ' ILE . 32.1 p90 -115.1 175.49 5.48 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.043 0.449 . . . . 0.0 111.698 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -123.04 151.15 42.21 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.158 -177.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.612 ' HA ' HD21 ' A' ' 37' ' ' LEU . 40.3 tt0 -67.41 77.39 0.17 Allowed 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.193 176.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -175.07 -30.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.628 HD12 ' HB ' ' A' ' 26' ' ' ILE . 5.4 pt -87.12 34.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.561 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.398 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.645 HG21 ' HB2' ' A' ' 39' ' ' ASP . 6.4 m -59.48 -52.8 64.01 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -64.46 -34.98 79.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.852 0.358 . . . . 0.0 111.763 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -62.81 -68.87 0.3 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.091 -177.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.628 ' HB ' HD12 ' A' ' 22' ' ' ILE . 14.6 tt -69.87 -30.17 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.325 -174.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HG ' ' HB2' ' A' ' 31' ' ' ALA . 35.4 tp -64.08 -32.66 74.3 Favored 'General case' 0 C--O 1.203 -1.382 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.201 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.95 -28.33 36.63 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.804 0.335 . . . . 0.0 111.301 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -93.43 -45.23 7.88 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.963 0.411 . . . . 0.0 111.85 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -89.08 -7.44 55.82 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -173.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.445 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . . . -59.34 -26.31 64.94 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -71.74 -17.29 62.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.178 0.513 . . . . 0.0 110.158 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.412 ' HB3' ' CE1' ' A' ' 79' ' ' TYR . 95.9 m-85 -103.03 -42.32 5.83 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.981 -178.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.57 179.31 46.84 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.39 -0.909 . . . . 0.0 113.0 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -93.46 134.61 35.53 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.084 0.554 . . . . 0.0 110.235 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.489 HG22 ' CD1' ' A' ' 37' ' ' LEU . 5.1 mt -125.84 130.49 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.286 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.612 HD21 ' HA ' ' A' ' 20' ' ' GLU . 10.6 mp 75.53 167.46 0.28 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.631 0.772 . . . . 0.0 112.309 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -89.3 1.68 55.41 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -172.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.645 ' HB2' HG21 ' A' ' 23' ' ' THR . 6.2 m-20 -65.09 -79.9 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 118.53 0.605 . . . . 0.0 111.695 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.4 mt . . . . . 0 N--CA 1.483 1.186 0 C-N-CA 123.728 0.811 . . . . 0.0 112.734 178.816 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -129.97 152.07 49.83 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.447 ' HG2' ' HE2' ' A' ' 76' ' ' LYS . 22.5 pt-20 -82.79 136.02 34.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.986 0.422 . . . . 0.0 110.331 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.406 ' CB ' ' HA ' ' A' ' 75' ' ' THR . 45.0 p-80 -158.16 166.63 31.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.994 -178.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.33 -143.87 13.29 Favored Glycine 0 N--CA 1.436 -1.31 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 177.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -108.36 -14.59 14.65 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.036 -0.665 . . . . 0.0 110.491 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.6 p -126.84 -0.84 6.65 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.682 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 -142.64 145.04 33.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.306 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.48 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 87.8 m -137.94 134.12 34.57 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.297 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HE2' ' HG2' ' A' ' 69' ' ' GLU . 39.1 ttpt -88.18 117.62 27.2 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.5 mt -107.64 123.73 48.92 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.222 0.534 . . . . 0.0 110.87 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.8 m -110.47 113.08 25.45 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 33' ' ' PHE . 10.1 m-85 -96.43 -9.19 30.4 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.154 -178.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 63.01 7.44 2.68 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.396 -178.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -130.47 140.54 50.53 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.795 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.407 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 57.1 p-80 -87.07 -20.64 26.85 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.396 -178.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.2 t -62.49 -43.88 97.74 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.989 0.423 . . . . 0.0 111.154 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.0 p -84.39 -15.26 46.94 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.532 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 46.2 t80 -59.8 -50.59 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.16 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.49 -42.5 95.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.803 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -65.56 -37.27 86.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.084 0.469 . . . . 0.0 111.282 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.15 -13.22 62.1 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.102 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 85' ' ' TYR . 45.1 mt -74.99 -5.56 44.59 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -176.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.531 ' HD3' ' OG1' ' A' ' 94' ' ' THR . 14.9 ptp180 -53.32 128.17 27.32 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 120.989 0.423 . . . . 0.0 111.338 179.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.477 ' HA ' ' O ' ' A' ' 101' ' ' ILE . 14.8 pt-20 -146.21 13.01 1.24 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -110.97 -70.35 0.82 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.835 0.35 . . . . 0.0 111.652 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.9 57.62 1.09 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.685 -0.769 . . . . 0.0 113.052 -176.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.531 ' OG1' ' HD3' ' A' ' 90' ' ' ARG . 87.3 m -150.22 103.18 3.15 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.223 0.535 . . . . 0.0 110.372 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 95.5 mt -114.24 124.11 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.444 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -121.29 128.06 51.97 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.7 t 62.85 23.18 13.84 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 121.07 0.462 . . . . 0.0 111.189 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.25 10.97 73.38 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.91 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.29 138.49 50.5 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.48 137.55 44.55 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.328 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 91' ' ' GLU . 51.1 mt -87.12 126.0 40.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.26 121.15 5.2 Favored Glycine 0 N--CA 1.437 -1.286 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.925 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.5 ' SG ' HG22 ' A' ' 15' ' ' VAL . 49.5 t -132.64 128.4 36.99 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.07 165.57 33.81 Favored Pre-proline 0 C--N 1.316 -0.883 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.616 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -61.48 148.79 92.11 Favored 'Trans proline' 0 C--O 1.239 0.531 0 C-N-CA 122.163 1.909 . . . . 0.0 110.794 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.493 ' CE1' HD11 ' A' ' 111' ' ' ILE . 78.9 t80 -63.72 95.83 0.12 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.119 0.485 . . . . 0.0 110.943 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -97.37 138.22 35.16 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.613 177.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -67.33 -38.52 85.03 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.647 -177.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.86 -28.33 67.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.969 0.414 . . . . 0.0 110.682 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.55 -36.59 81.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.771 178.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.493 HD11 ' CE1' ' A' ' 106' ' ' TYR . 46.0 mm -61.3 -42.79 94.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.577 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.5 m -60.35 -41.16 93.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.348 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -62.24 -50.73 70.6 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.273 0.558 . . . . 0.0 110.332 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.14 -42.14 96.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.137 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.9 p . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.893 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.0 p30 . . . . . 0 C--O 1.237 0.399 0 CA-C-O 120.935 0.398 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.56 134.19 52.62 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.072 0.463 . . . . 0.0 111.758 -178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 m -116.4 156.3 17.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.902 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.23 112.26 39.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 102' ' ' GLY . 22.3 t -113.72 132.75 61.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.483 ' HB3' ' HB3' ' A' ' 74' ' ' TRP . 32.3 p90 -142.73 165.31 27.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.656 -178.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.81 10.41 8.39 Favored Glycine 0 N--CA 1.459 0.182 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.539 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.443 ' HE2' HG12 ' A' ' 15' ' ' VAL . 28.6 p90 -139.93 167.35 22.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.751 0.31 . . . . 0.0 110.75 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -124.19 158.78 31.59 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -74.37 87.23 2.02 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -176.62 -29.88 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.755 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.4 HD11 ' HB2' ' A' ' 18' ' ' TYR . 1.9 pp -97.53 31.24 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.378 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.482 HG23 HD12 ' A' ' 37' ' ' LEU . 7.8 m -57.99 -48.61 79.49 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.251 -174.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.465 ' HE3' ' O ' ' A' ' 40' ' ' LEU . 11.0 mptt -61.66 -39.34 91.04 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.853 -173.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -65.98 -63.6 1.05 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.956 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 tt -67.79 -30.95 50.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -175.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.461 ' HG ' HD23 ' A' ' 40' ' ' LEU . 2.9 tm? -63.31 -41.83 98.97 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.965 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.42 -28.63 67.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -85.29 -48.13 9.37 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.956 0.407 . . . . 0.0 111.576 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -84.22 -7.47 59.34 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -175.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.95 -23.46 53.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.643 0.258 . . . . 0.0 111.524 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -58.44 -26.09 62.94 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.251 0.548 . . . . 0.0 109.54 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -107.69 -48.26 3.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.707 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.31 -167.32 36.01 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.785 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -94.42 158.28 15.63 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 mm -107.09 -77.55 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -175.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.482 HD12 HG23 ' A' ' 23' ' ' THR . 1.7 pp -138.43 -174.37 3.8 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -177.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -66.93 169.84 7.58 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -173.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 52.36 76.69 0.18 Allowed 'General case' 0 C--N 1.35 0.601 0 C-N-CA 124.915 1.286 . . . . 0.0 113.369 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.465 ' O ' ' HE3' ' A' ' 24' ' ' LYS . 6.1 mp . . . . . 0 C--N 1.317 -0.811 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 C--O 1.242 0.685 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.0 mmt-85 -120.62 149.0 43.16 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 120.91 0.386 . . . . 0.0 111.189 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.9 162.7 28.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.373 -177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -105.78 146.69 29.52 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.128 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.13 -92.55 2.03 Favored Glycine 0 N--CA 1.44 -1.087 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.238 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -128.09 -85.57 0.58 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.957 0.408 . . . . 0.0 110.591 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.2 p -114.84 21.97 13.89 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.608 0.718 . . . . 0.0 110.194 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.483 ' HB3' ' HB3' ' A' ' 16' ' ' PHE . 65.4 p-90 -134.61 148.01 50.33 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.169 -178.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 38.0 m -134.38 129.5 35.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.047 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -88.29 107.77 18.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.415 HD13 ' OH ' ' A' ' 79' ' ' TYR . 94.4 mt -92.85 118.59 31.28 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.276 0.56 . . . . 0.0 111.632 -175.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 87.8 m -112.37 114.19 26.79 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.865 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.415 ' OH ' HD13 ' A' ' 77' ' ' LEU . 98.0 m-85 -108.45 7.07 26.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.713 -178.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.36 -53.61 0.64 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.583 0.753 . . . . 0.0 112.501 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -81.99 144.95 30.53 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-O 120.977 0.418 . . . . 0.0 110.727 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.411 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 51.5 p-80 -74.4 -22.66 59.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.233 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.666 ' O ' ' HG2' ' A' ' 87' ' ' ARG . 11.1 m -62.05 -51.39 68.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.329 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -65.46 -33.47 76.02 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.227 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.411 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 19.8 t80 -57.28 -50.17 73.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.663 177.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.1 tp -67.51 -37.37 82.7 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.131 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.666 ' HG2' ' O ' ' A' ' 83' ' ' SER . 30.1 mmm180 -63.41 -37.21 86.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.586 -178.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.51 -12.94 60.11 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.906 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.9 tp -67.63 -7.49 26.99 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.228 0.611 . . . . 0.0 111.896 -177.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -58.1 86.6 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -105.39 -9.83 17.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.154 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -59.79 91.78 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 -176.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.89 32.5 84.13 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.723 177.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.8 m -86.26 90.79 8.27 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.017 0.437 . . . . 0.0 110.627 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.527 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 93.2 mt -102.86 126.66 57.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.329 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -134.34 134.55 41.92 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 52.8 t 73.62 -37.01 0.36 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.02 0.528 . . . . 0.0 111.632 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.76 -31.53 0.27 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.908 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -111.47 160.85 16.73 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -84.87 136.72 33.53 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.49 178.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 40.6 pt -86.77 136.49 22.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.501 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -98.86 115.67 5.37 Favored Glycine 0 N--CA 1.433 -1.505 0 C-N-CA 120.501 -0.856 . . . . 0.0 112.268 -177.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 56.6 m -109.78 102.06 10.89 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.2 m -123.23 158.01 59.45 Favored Pre-proline 0 C--N 1.312 -1.06 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.367 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.1 152.04 82.25 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.869 2.379 . . . . 0.0 110.995 177.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -56.89 102.29 0.08 Allowed 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.422 0.451 . . . . 0.0 111.256 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.464 ' O ' HG12 ' A' ' 111' ' ' ILE . 60.3 mtpt -101.93 134.92 44.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.232 177.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -63.89 -47.56 80.16 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.74 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -68.8 -33.14 73.35 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.315 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 50.1 tp -59.89 -40.73 89.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.721 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 107' ' ' LYS . 45.6 mm -61.82 -43.97 98.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.3 m -61.51 -42.77 99.31 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -58.74 -49.58 77.1 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.817 0.341 . . . . 0.0 110.497 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.98 -43.35 95.99 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.432 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.3 p . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.61 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.404 ' HA ' ' O ' ' A' ' 77' ' ' LEU . . . -135.26 143.18 46.15 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.51 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.27 160.27 42.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.505 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -107.94 114.44 46.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.417 HG12 ' HE2' ' A' ' 18' ' ' TYR . 21.5 t -109.09 127.3 65.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -141.93 173.34 11.6 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.871 0.367 . . . . 0.0 111.485 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.76 -2.57 23.09 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.685 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.417 ' HE2' HG12 ' A' ' 15' ' ' VAL . 36.4 p90 -125.94 176.1 7.22 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.757 0.313 . . . . 0.0 111.309 -178.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -128.32 166.31 18.88 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.596 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 36.8 tt0 -76.68 86.16 3.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.24 0.543 . . . . 0.0 109.629 177.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -168.23 -39.66 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.363 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 pp -88.5 21.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.354 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.4 m -61.0 -47.93 84.18 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.298 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -56.52 -37.26 70.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.47 0.652 . . . . 0.0 109.425 -178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -72.47 -67.05 0.58 Allowed 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.426 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.4 tt -66.16 -33.5 63.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 2.4 tm? -63.27 -39.65 95.18 Favored 'General case' 0 C--O 1.203 -1.379 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.372 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.39 -34.48 73.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.772 0.32 . . . . 0.0 111.787 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -83.28 -46.83 12.17 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.742 0.306 . . . . 0.0 111.794 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' HB3' HD11 ' A' ' 36' ' ' ILE . 54.2 m-85 -83.78 -4.9 59.01 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -177.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -56.32 -14.97 3.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.459 0.304 . . . . 0.0 111.725 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -60.26 -27.49 67.28 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -95.75 -67.65 0.84 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.533 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.26 -161.35 25.66 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.255 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.45 139.77 57.08 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.856 0.328 . . . . 0.0 110.298 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.47 ' O ' HG21 ' A' ' 75' ' ' THR . 43.5 mm -103.83 -54.52 6.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 120.906 0.384 . . . . 0.0 110.531 178.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 5.2 mp -117.82 179.6 4.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.315 179.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.73 -37.49 86.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.72 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.75 142.11 49.76 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.854 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.312 -1.036 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.037 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -134.04 148.59 51.09 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 1.2 pm0 -75.56 147.86 39.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.958 0.409 . . . . 0.0 111.5 -178.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -154.25 169.75 22.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -176.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.65 -163.86 23.38 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -94.8 -19.68 20.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.247 0.524 . . . . 0.0 111.506 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.9 p -123.43 -2.72 8.45 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.65 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -143.12 147.84 35.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.425 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.47 HG21 ' O ' ' A' ' 36' ' ' ILE . 59.3 m -128.04 132.54 49.09 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 120.951 0.405 . . . . 0.0 111.57 -178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 69' ' ' GLU . 83.9 tttt -91.31 113.73 26.08 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 176.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 12' ' ' ALA . 96.7 mt -112.76 124.57 52.88 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.038 0.447 . . . . 0.0 111.52 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.9 m -111.03 123.74 50.78 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.43 ' C ' ' H ' ' A' ' 81' ' ' ASN . 47.8 m-85 -103.59 -3.72 24.83 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.273 -176.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.95 -36.23 0.34 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.671 0.788 . . . . 0.0 111.793 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.43 ' H ' ' C ' ' A' ' 79' ' ' TYR . 14.6 m120 -99.36 139.57 34.82 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.475 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 45.2 p-80 -80.47 -15.78 55.93 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.18 0.514 . . . . 0.0 110.293 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.5 m -62.14 -40.41 95.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.592 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m -71.85 -18.57 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.337 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.475 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 62.3 t80 -60.13 -49.28 78.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.21 -42.61 96.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.055 0.455 . . . . 0.0 111.202 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -67.95 -42.19 81.32 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.715 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.93 -13.52 60.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.997 0.427 . . . . 0.0 111.632 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.4 tp -79.53 -6.0 56.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.694 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 90' ' ' ARG . 12.0 ptm180 -49.04 108.94 0.21 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -108.76 4.46 23.71 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.419 175.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -76.13 93.1 3.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.325 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.53 28.62 73.43 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.703 -0.68 . . . . 0.0 113.134 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 18.2 m -82.36 82.81 7.69 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.332 0.587 . . . . 0.0 110.355 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 97.5 mt -111.54 126.09 68.9 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.353 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -136.4 133.08 36.33 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.301 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 49.4 t 68.15 16.25 9.42 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.463 0.649 . . . . 0.0 110.609 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.21 -10.63 61.72 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.686 -0.688 . . . . 0.0 113.107 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.19 146.41 50.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 117.154 0.477 . . . . 0.0 111.698 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -77.62 142.42 38.91 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.216 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.8 pt -97.48 154.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.097 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.74 131.58 9.74 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.465 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.5 p -131.44 130.4 42.46 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.869 0.366 . . . . 0.0 110.654 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.9 m -132.64 161.58 62.48 Favored Pre-proline 0 C--N 1.315 -0.894 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.704 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -65.3 160.89 40.19 Favored 'Trans proline' 0 C--O 1.239 0.528 0 C-N-CA 121.936 1.757 . . . . 0.0 109.689 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -60.03 97.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.416 0.627 . . . . 0.0 110.433 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -96.69 116.29 28.88 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.019 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -60.03 -45.51 92.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.796 -175.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -66.8 -30.69 70.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.982 0.42 . . . . 0.0 111.033 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.98 -40.35 95.32 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.484 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.8 mm -62.02 -43.67 97.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.1 m -61.54 -41.51 97.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.439 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.24 -41.12 86.18 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 121.003 0.43 . . . . 0.0 111.186 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.0 -38.37 88.3 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.881 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.1 p . . . . . 0 C--O 1.24 0.587 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -177.457 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.8 129.49 38.71 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.659 176.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 m -112.13 155.49 13.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.022 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.701 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -99.54 117.0 44.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.452 HG22 ' HB3' ' A' ' 103' ' ' CYS . 47.1 t -101.56 122.04 53.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.581 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -134.63 157.8 45.68 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.557 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.49 0.27 21.9 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.068 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.57 ' HB2' HD11 ' A' ' 22' ' ' ILE . 38.8 p90 -105.84 171.47 7.32 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -140.66 160.82 39.2 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.475 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 34.1 tt0 -76.54 61.48 1.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.45 0.643 . . . . 0.0 110.475 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -158.49 9.19 0.14 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.711 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.57 HD11 ' HB2' ' A' ' 18' ' ' TYR . 30.0 pt -131.16 20.0 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.3 m -60.82 -44.41 96.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -59.95 -29.49 68.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.25 0.548 . . . . 0.0 110.169 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -89.24 -68.99 0.74 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -176.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.1 tt -64.82 -40.66 89.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.76 -34.39 77.73 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.854 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.97 -32.73 66.36 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.998 0.428 . . . . 0.0 111.263 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -90.74 -41.78 11.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.819 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -85.59 -7.39 58.88 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -175.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.9 -23.86 55.2 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.071 0.462 . . . . 0.0 110.847 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -59.6 -36.73 76.85 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.244 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -95.19 -50.63 4.97 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.055 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.23 150.07 7.92 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.069 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -70.52 137.25 50.02 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 122.757 0.423 . . . . 0.0 111.534 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.487 HD12 ' N ' ' A' ' 36' ' ' ILE . 3.6 mp -94.07 -40.57 11.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.909 -178.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 4.4 mp -121.72 168.12 12.17 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -69.13 -32.04 71.15 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.725 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.43 146.43 54.89 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.059 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tm? . . . . . 0 N--CA 1.44 -0.94 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -178.669 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.448 -0.552 0 CA-C-O 121.49 0.662 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 76' ' ' LYS . 14.4 tpp180 -135.52 139.01 43.64 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -74.03 136.17 43.1 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -149.12 170.45 18.39 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.432 -176.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.462 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -106.63 -158.64 21.69 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.819 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.6 ttp-105 -69.55 -44.7 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.912 0.387 . . . . 0.0 111.866 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.7 p -129.29 15.17 6.15 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.303 -175.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.462 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 60.1 p-90 -140.17 143.19 35.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.183 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.401 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 9.8 t -142.19 147.08 35.98 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.422 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 27.4 ttpp -100.15 118.92 37.48 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.403 HD11 HG13 ' A' ' 36' ' ' ILE . 68.0 mt -102.79 130.58 49.82 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.031 0.443 . . . . 0.0 111.225 -177.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.4 m -103.99 111.32 23.83 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -88.07 -18.78 28.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.754 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 68.31 -59.37 0.44 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.722 0.809 . . . . 0.0 112.139 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -82.7 140.27 33.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.974 0.416 . . . . 0.0 110.247 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -79.26 -25.18 42.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.635 -178.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.7 t -61.42 -41.5 97.27 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.801 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 p -81.93 -15.48 53.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.098 0.475 . . . . 0.0 111.371 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -62.33 -42.08 99.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.968 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.11 -43.92 98.15 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -67.23 -37.17 83.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.847 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.58 -12.91 57.38 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 31.9 tp -82.27 -6.41 59.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.864 0.364 . . . . 0.0 110.974 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 90' ' ' ARG . 27.1 ptt180 -53.43 102.08 0.05 Allowed 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -177.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -120.41 1.18 10.68 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.86 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -62.66 -38.02 88.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.315 -177.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.6 68.79 0.13 Allowed Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.4 m -111.53 92.05 3.89 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.095 0.474 . . . . 0.0 111.061 -177.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.456 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 88.7 mt -105.32 122.94 59.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.077 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -131.25 136.24 48.03 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 34.5 t 64.99 13.21 8.49 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.162 0.506 . . . . 0.0 111.466 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.83 7.39 56.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.1 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -142.69 145.51 33.47 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 117.267 0.534 . . . . 0.0 111.389 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -80.08 134.07 36.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.872 0.368 . . . . 0.0 110.682 177.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 29.5 pt -96.73 140.24 17.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.782 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -107.87 116.01 4.69 Favored Glycine 0 N--CA 1.437 -1.295 0 C-N-CA 120.109 -1.043 . . . . 0.0 112.126 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.452 ' HB3' HG22 ' A' ' 15' ' ' VAL . 5.2 p -121.57 100.8 7.22 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.265 0.555 . . . . 0.0 110.201 177.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.478 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 24.7 m -115.35 159.2 39.17 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.007 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.478 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 18.8 Cg_endo -58.83 151.56 63.71 Favored 'Trans proline' 0 C--O 1.242 0.715 0 C-N-CA 122.52 2.147 . . . . 0.0 111.642 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.409 ' CD1' ' HD3' ' A' ' 76' ' ' LYS . 87.9 t80 -61.06 120.62 10.62 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.585 0.707 . . . . 0.0 112.492 -176.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -125.83 132.27 52.26 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 174.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -66.7 -34.76 78.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.822 0.344 . . . . 0.0 111.192 -177.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -68.34 -34.81 76.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.153 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.53 ' O ' HD13 ' A' ' 114' ' ' LEU . 26.5 tp -62.12 -43.43 98.86 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.984 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.48 -42.2 92.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.863 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.7 t -61.22 -45.67 93.59 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.716 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -61.45 -47.27 86.49 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.641 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 110' ' ' LEU . 10.7 mp -62.51 -33.96 75.93 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 CA--C 1.548 0.866 0 CA-C-O 121.117 0.484 . . . . 0.0 110.363 177.764 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 . . . . . 0 C--O 1.242 0.686 0 CA-C-O 121.322 0.582 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.02 142.62 38.26 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.964 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.8 m -120.5 159.84 21.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.044 0.449 . . . . 0.0 111.429 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.7 t -110.63 115.23 49.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.9 t -112.79 129.77 67.81 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.349 -178.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -147.41 170.04 18.22 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.27 -30.58 4.71 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.861 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -99.34 -170.2 1.87 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.833 0.349 . . . . 0.0 111.453 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.716 ' O ' HG13 ' A' ' 22' ' ' ILE . 75.5 ttt180 -119.56 153.17 35.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.77 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.579 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -67.11 -30.3 70.28 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.052 -0.405 . . . . 0.0 112.009 -179.228 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.443 ' H ' ' HG2' ' A' ' 19' ' ' ARG . . . -61.17 -25.95 67.37 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.716 HG13 ' O ' ' A' ' 19' ' ' ARG . 2.8 pp -86.55 22.1 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -176.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.5 m -57.47 -45.58 84.65 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.356 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -58.74 -41.18 85.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.851 0.358 . . . . 0.0 111.363 -176.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -70.81 -60.98 1.94 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.93 -177.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.2 tt -65.76 -27.66 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.056 -174.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 42.0 tp -63.02 -35.46 80.31 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.391 179.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.62 -37.59 70.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.67 0.271 . . . . 0.0 111.323 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -90.85 -46.04 8.44 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -79.04 -5.77 54.78 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -176.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.8 -23.8 60.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.676 0.274 . . . . 0.0 111.265 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -66.04 -22.04 66.41 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.943 0.402 . . . . 0.0 110.274 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -89.99 -55.75 3.5 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.241 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.47 -134.57 4.11 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 119.388 -1.387 . . . . 0.0 114.723 177.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.443 ' O ' HD13 ' A' ' 36' ' ' ILE . 36.1 tt0 -67.43 123.75 21.27 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.665 1.186 . . . . 0.0 111.197 -176.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 35' ' ' GLU . 9.2 mm -134.45 145.51 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -178.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.579 ' CD1' ' HA ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER 50.77 -107.57 0.3 Allowed 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 177.41 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -169.31 -54.16 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.889 0.376 . . . . 0.0 111.506 -174.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.93 74.16 8.93 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.321 -0.632 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.037 -179.204 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.235 0.302 0 CA-C-O 120.79 0.329 . . . . 0.0 111.868 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -92.41 151.18 20.38 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.593 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.71 132.32 42.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.421 0.629 . . . . 0.0 111.014 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -106.48 125.15 50.64 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.534 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.76 -119.59 0.87 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.609 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -86.94 -82.98 0.2 Allowed 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 121.233 0.54 . . . . 0.0 110.639 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.4 p -114.85 9.86 16.32 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.234 -177.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -110.97 137.41 48.63 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.091 0.472 . . . . 0.0 111.057 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.9 m -130.5 129.76 43.32 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.96 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -96.27 114.15 25.81 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.36 -0.536 . . . . 0.0 109.571 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.1 mt -96.69 121.44 38.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.988 0.423 . . . . 0.0 110.397 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.2 m -111.72 112.0 23.39 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.737 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -108.13 -12.17 15.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.227 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 66.53 -1.19 1.33 Allowed 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.409 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -116.82 132.5 56.68 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.819 0.342 . . . . 0.0 110.107 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -64.87 -36.04 83.08 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.597 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.1 t -59.81 -50.27 74.47 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -67.01 -36.74 82.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.389 0.614 . . . . 0.0 110.328 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.441 ' OH ' ' HB3' ' A' ' 105' ' ' PRO . 19.5 t80 -58.66 -50.67 73.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.805 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.0 tp -67.84 -39.46 83.83 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.466 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.27 -20.72 64.8 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.019 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.33 -25.93 68.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.743 0.306 . . . . 0.0 111.74 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.445 ' HA ' ' HB2' ' A' ' 103' ' ' CYS . 11.1 mp -74.62 -5.3 42.19 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.886 0.474 . . . . 0.0 111.884 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -52.86 139.02 28.26 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 121.482 0.658 . . . . 0.0 112.281 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -79.66 1.38 26.51 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.792 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -69.23 -17.67 63.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.517 ' O ' HG22 ' A' ' 94' ' ' THR . . . -65.19 -43.93 94.68 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 173.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 93' ' ' GLY . 3.1 t 54.65 -165.04 0.1 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 170.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.517 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 91.9 mt -74.24 103.13 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.413 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.408 ' C ' ' H ' ' A' ' 98' ' ' GLY . 2.7 t80 -111.09 129.13 56.02 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.489 -178.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.5 t 71.46 -36.4 0.36 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.207 0.603 . . . . 0.0 111.883 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 96' ' ' TYR . . . 169.88 -17.08 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.886 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.5 153.68 50.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.083 0.442 . . . . 0.0 111.177 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -70.54 152.43 43.98 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.676 178.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.465 HG13 ' C ' ' A' ' 93' ' ' GLY . 1.3 mt -82.94 119.73 32.98 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.6 103.95 2.22 Favored Glycine 0 N--CA 1.438 -1.181 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.323 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 89' ' ' LEU . 14.2 m -109.03 110.22 21.44 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.6 m -113.3 158.16 39.07 Favored Pre-proline 0 C--N 1.31 -1.114 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.66 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.441 ' HB3' ' OH ' ' A' ' 85' ' ' TYR . 27.2 Cg_exo -62.46 150.87 85.93 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.467 2.111 . . . . 0.0 110.93 176.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -59.0 115.13 2.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.187 0.518 . . . . 0.0 110.986 -178.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.401 ' O ' HG12 ' A' ' 111' ' ' ILE . 99.5 mttt -120.04 117.52 28.23 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.177 178.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.6 -41.11 94.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.842 -177.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -63.33 -42.95 99.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.373 . . . . 0.0 110.398 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 62.2 tp -62.33 -42.7 99.6 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.001 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 107' ' ' LYS . 35.4 mm -62.46 -42.76 96.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.124 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.2 t -59.89 -48.84 80.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.001 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.34 -41.13 98.86 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.411 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 89.3 mt -63.54 -43.29 97.54 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.386 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 C--O 1.237 0.42 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.695 -179.712 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.823 0.344 . . . . 0.0 110.569 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.55 130.94 36.53 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.134 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.9 m -130.93 160.76 41.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.301 -177.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.6 t -109.12 112.93 42.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.198 177.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.624 HG22 ' SG ' ' A' ' 103' ' ' CYS . 21.4 t -99.74 130.22 49.15 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.893 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -147.76 172.06 14.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.437 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.44 2.21 56.61 Favored Glycine 0 C--O 1.226 -0.363 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.008 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.768 ' HB2' HD11 ' A' ' 22' ' ' ILE . 54.5 p90 -117.41 157.89 25.41 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.621 ' O ' HG12 ' A' ' 22' ' ' ILE . 57.1 ttp180 -125.04 153.39 42.93 Favored 'General case' 0 C--N 1.309 -1.19 0 C-N-CA 120.516 -0.474 . . . . 0.0 109.762 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -49.93 -32.6 15.17 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.13 -25.39 63.82 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.768 HD11 ' HB2' ' A' ' 18' ' ' TYR . 28.7 pt -88.35 30.78 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 122.073 -0.392 . . . . 0.0 110.995 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -43.9 -73.5 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -174.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -61.05 -40.36 93.35 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -52.63 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.575 ' HB ' HD12 ' A' ' 22' ' ' ILE . 8.1 tt -73.24 -27.12 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.0 tp -61.8 -45.87 91.98 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 120.688 0.28 . . . . 0.0 110.632 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.13 -27.13 68.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.319 -0.401 . . . . 0.0 112.039 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -91.62 -49.13 6.46 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -90.83 -19.89 22.91 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -173.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.28 -12.07 47.89 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -63.96 -30.25 71.34 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.802 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -123.33 -12.79 7.77 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.05 116.9 0.63 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.943 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.28 119.81 18.03 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 120.966 0.412 . . . . 0.0 110.554 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 8.8 mt -107.68 164.39 5.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.735 -178.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.483 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 80.8 mt 71.82 -107.35 0.04 OUTLIER 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 123.19 0.596 . . . . 0.0 111.577 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 45.9 mt-10 -164.13 -67.77 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.038 0.935 . . . . 0.0 109.231 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.562 ' CG ' ' H ' ' A' ' 40' ' ' LEU . 17.5 t70 62.74 -169.82 0.18 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.426 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.562 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -173.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 CA--C 1.508 -0.647 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.17 149.82 41.63 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.234 -1.348 . . . . 0.0 109.075 177.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.19 151.94 38.43 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.545 0.688 . . . . 0.0 112.526 -176.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -128.13 143.86 51.08 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.001 -0.999 . . . . 0.0 108.85 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.55 134.67 8.38 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.07 -1.062 . . . . 0.0 111.892 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 51.32 -90.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.1 p -132.58 18.67 4.3 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.955 -177.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.405 ' CG ' HD13 ' A' ' 114' ' ' LEU . 59.0 p-90 -135.2 143.44 46.4 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.993 0.425 . . . . 0.0 112.013 -178.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 t -144.66 148.5 34.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.598 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 76' ' ' LYS . 2.2 ttpm? -107.06 104.19 13.79 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.577 ' H ' HD23 ' A' ' 77' ' ' LEU . 2.6 pt? -115.23 154.99 28.04 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.216 0.531 . . . . 0.0 111.476 -177.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.8 m -103.1 123.53 46.83 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.817 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -92.56 -3.67 54.69 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 68.12 -48.81 0.54 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.002 0.921 . . . . 0.0 113.022 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -96.06 142.27 28.46 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.021 0.438 . . . . 0.0 110.889 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.537 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 22.1 t60 -74.94 -25.35 58.82 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.847 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.7 m -60.44 -41.06 93.27 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.281 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.4 m -68.77 -24.23 64.41 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.952 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.537 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 88.8 t80 -59.18 -46.99 86.97 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.589 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.18 -42.36 88.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.807 0.337 . . . . 0.0 111.641 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 94.2 mtt180 -66.1 -40.91 91.12 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.22 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.2 -12.12 59.97 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.45 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.5 tp -63.73 -4.54 3.18 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.515 0.726 . . . . 0.0 111.864 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 87' ' ' ARG . 18.8 mmt180 -37.88 130.78 1.09 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.677 0.791 . . . . 0.0 111.838 178.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -136.4 -153.88 0.52 Allowed 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.301 -177.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -55.19 124.09 15.83 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.828 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.37 -26.74 5.97 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.6 m -92.59 91.09 7.4 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.474 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 98.9 mt -94.08 125.52 46.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.426 -178.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -129.09 126.42 39.32 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.823 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.0 t 66.95 9.98 7.29 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.048 0.539 . . . . 0.0 111.936 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.01 -9.49 21.0 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.28 -0.962 . . . . 0.0 113.589 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.38 153.14 51.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 117.068 0.434 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -89.2 129.52 35.77 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.818 0.342 . . . . 0.0 110.834 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 40.4 pt -89.26 142.29 13.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.909 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -120.82 123.89 5.7 Favored Glycine 0 N--CA 1.435 -1.408 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.552 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.624 ' SG ' HG22 ' A' ' 15' ' ' VAL . 49.6 t -130.18 125.78 35.82 Favored 'General case' 0 N--CA 1.433 -1.275 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.439 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 30.7 m -134.14 160.94 66.58 Favored Pre-proline 0 C--N 1.312 -1.024 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 18.9 Cg_endo -60.13 153.09 61.01 Favored 'Trans proline' 0 C--O 1.239 0.569 0 C-N-CA 122.439 2.093 . . . . 0.0 111.305 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -55.21 124.68 17.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.174 0.512 . . . . 0.0 111.959 -178.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -134.75 138.29 44.21 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.241 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -65.55 -41.45 92.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.621 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.85 -40.27 94.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.634 -177.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 58.0 tp -60.77 -46.42 90.54 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 120.805 0.336 . . . . 0.0 110.365 -179.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.8 mm -64.99 -43.25 96.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.641 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.0 m -61.1 -46.81 89.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.991 -178.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.2 -36.96 80.38 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.14 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 93.3 mt -63.55 -42.76 98.35 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.884 177.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.476 -179.165 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.734 0.302 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.91 129.92 34.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.938 0.399 . . . . 0.0 111.196 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -116.1 153.97 17.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.209 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.3 t -111.74 118.14 56.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.514 HG13 ' SG ' ' A' ' 103' ' ' CYS . 3.0 t -113.23 130.19 67.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -144.08 169.2 18.31 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.743 -178.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.59 19.52 12.1 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.867 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.613 ' HB2' HD11 ' A' ' 22' ' ' ILE . 16.3 p90 -135.88 158.48 44.31 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 122.304 0.242 . . . . 0.0 110.402 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.2 ttm-85 -102.29 158.31 16.28 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.559 ' HA ' HD21 ' A' ' 37' ' ' LEU . 33.4 tt0 -67.72 -4.34 11.95 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.091 0.556 . . . . 0.0 111.968 -175.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.65 -13.76 29.07 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.613 HD11 ' HB2' ' A' ' 18' ' ' TYR . 13.3 pt -99.42 30.98 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.811 -177.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 37' ' ' LEU . 6.9 m -60.34 -52.17 66.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -173.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -63.45 -40.88 98.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.125 0.488 . . . . 0.0 110.652 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -62.55 -56.91 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.719 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.2 tt -69.02 -30.71 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.94 -176.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 53.1 tp -62.33 -45.45 93.15 Favored 'General case' 0 C--O 1.206 -1.19 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.039 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -22.79 65.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.03 0.443 . . . . 0.0 111.54 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -86.78 -47.04 9.42 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.722 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -93.99 -4.93 48.75 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -48.39 -27.22 2.47 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 114.052 1.131 . . . . 0.0 114.052 -174.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -61.73 -30.75 70.98 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.098 0.475 . . . . 0.0 110.75 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -158.89 53.32 0.41 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.455 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.59 124.35 0.94 Allowed Glycine 0 C--N 1.337 0.586 0 C-N-CA 119.845 -1.169 . . . . 0.0 113.807 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -102.3 90.0 3.76 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.06 128.05 43.94 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.838 -171.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.612 ' HB2' HG23 ' A' ' 23' ' ' THR . 10.0 mp 64.67 -169.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.111 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -124.08 16.63 9.23 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -173.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -121.49 80.87 1.72 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.664 0.745 . . . . 0.0 110.67 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.4 mt . . . . . 0 C--N 1.305 -1.348 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.787 -175.895 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 CA--C 1.561 1.383 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -83.35 147.52 27.87 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 122.027 -0.421 . . . . 0.0 110.652 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -75.22 111.56 10.59 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 121.332 0.587 . . . . 0.0 110.154 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.492 ' HA ' ' CZ3' ' A' ' 74' ' ' TRP . 6.1 p-80 -148.78 167.64 25.06 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.114 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.09 -140.55 8.35 Favored Glycine 0 N--CA 1.435 -1.432 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -104.41 146.29 29.05 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 18' ' ' TYR . 30.5 p 72.19 -11.2 0.81 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 124.625 1.17 . . . . 0.0 113.184 -178.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.492 ' CZ3' ' HA ' ' A' ' 70' ' ' HIS . 60.3 p-90 -134.46 129.53 35.36 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.969 0.414 . . . . 0.0 111.037 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.522 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 53.0 m -135.67 134.79 39.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.253 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -93.59 128.47 39.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.666 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.6 mt -112.47 119.75 39.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.794 0.331 . . . . 0.0 111.72 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.0 m -114.37 126.32 54.86 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.833 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -113.89 -4.2 13.32 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.589 0.356 . . . . 0.0 110.298 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.22 -5.28 1.36 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.269 0.628 . . . . 0.0 112.003 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -129.03 142.51 50.89 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.745 0.307 . . . . 0.0 111.222 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.5 p-80 -73.92 -19.19 60.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.945 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.3 m -60.36 -43.88 96.11 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.158 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 t -79.06 -25.0 43.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -59.24 -48.66 80.8 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.454 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.2 tp -64.18 -42.53 96.64 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.359 -176.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -69.82 -36.75 75.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.25 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.15 -12.12 60.5 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.427 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.28 -39.83 88.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.652 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 56.75 -120.65 1.44 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.113 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 54.48 41.74 31.77 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 121.928 0.87 . . . . 0.0 110.341 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -120.8 44.59 2.45 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.13 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.67 38.93 50.01 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.415 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.8 m -83.49 98.5 9.57 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.251 0.548 . . . . 0.0 111.638 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 94.8 mt -109.16 125.53 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.527 178.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -132.67 131.71 41.6 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 93.5 m 63.81 20.99 12.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.003 0.43 . . . . 0.0 111.756 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.18 -5.89 61.39 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.706 -0.759 . . . . 0.0 114.031 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.2 152.81 52.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.459 0.63 . . . . 0.0 111.22 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.43 134.82 33.73 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.1 pt -91.83 150.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.744 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.61 128.29 9.52 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 120.172 -1.013 . . . . 0.0 111.77 -178.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.514 ' SG ' HG13 ' A' ' 15' ' ' VAL . 35.0 m -131.7 111.38 11.62 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.415 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 19.5 m -139.6 159.27 66.08 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.906 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.415 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 21.9 Cg_endo -61.83 150.45 85.98 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.658 2.239 . . . . 0.0 111.7 177.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.517 ' CE1' HG13 ' A' ' 111' ' ' ILE . 73.3 t80 -56.46 117.73 4.12 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.227 0.536 . . . . 0.0 111.753 -177.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.485 ' O ' HG12 ' A' ' 111' ' ' ILE . 64.3 mttp -114.84 137.05 52.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.506 177.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -65.03 -46.08 82.82 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.616 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -67.81 -37.55 82.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.215 -178.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 64.5 tp -61.01 -44.64 97.13 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.972 0.415 . . . . 0.0 110.151 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . 0.517 HG13 ' CE1' ' A' ' 106' ' ' TYR . 46.6 mm -63.66 -38.59 82.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.583 177.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.3 t -58.26 -45.86 87.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.442 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -66.55 -42.64 86.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.075 0.464 . . . . 0.0 110.515 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 74' ' ' TRP . 93.3 mt -63.58 -41.02 98.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.931 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.0 t . . . . . 0 CA--C 1.534 0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.486 -178.483 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.46 ' ND2' ' HA ' ' A' ' 80' ' ' ALA . 31.2 p-10 . . . . . 0 C--O 1.237 0.429 0 CA-C-O 121.143 0.497 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.37 144.58 46.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.208 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.9 m -128.73 162.44 35.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.212 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.17 119.88 53.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.461 HG13 ' SG ' ' A' ' 103' ' ' CYS . 20.3 t -102.35 127.21 56.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -144.86 164.43 31.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.545 0.212 . . . . 0.0 111.462 -178.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.69 23.06 7.02 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.761 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.693 ' HB2' HD11 ' A' ' 22' ' ' ILE . 26.7 p90 -147.15 167.22 24.7 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 122.727 0.411 . . . . 0.0 110.287 -177.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -118.91 158.99 24.62 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.602 ' HA ' HD22 ' A' ' 37' ' ' LEU . 39.1 tt0 -78.08 46.35 0.59 Allowed 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.903 0.859 . . . . 0.0 111.108 -176.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.99 -7.75 3.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.502 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.693 HD11 ' HB2' ' A' ' 18' ' ' TYR . 30.8 pt -106.91 34.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.434 -177.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.483 HG21 ' HA ' ' A' ' 39' ' ' ASP . 23.2 m -50.94 -73.67 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.565 0 O-C-N 123.364 0.415 . . . . 0.0 112.039 -176.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm -50.58 -34.88 27.47 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.277 0.631 . . . . 0.0 112.078 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.474 ' HB3' ' OH ' ' A' ' 96' ' ' TYR . 59.7 mt-30 -66.61 -71.59 0.19 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.962 -176.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.62 ' HB ' HD12 ' A' ' 22' ' ' ILE . 16.9 tt -70.37 -31.92 48.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -175.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.595 HD13 ' H ' ' A' ' 36' ' ' ILE . 45.9 tp -60.99 -37.29 81.96 Favored 'General case' 0 C--O 1.211 -0.974 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.735 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.42 -25.73 26.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -90.83 -46.35 8.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -94.94 -10.18 31.85 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -174.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.536 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -55.36 -34.58 64.41 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -173.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -64.59 -20.65 66.38 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 120.762 0.315 . . . . 0.0 111.226 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -120.49 -5.88 9.79 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.621 ' HA3' HD21 ' A' ' 77' ' ' LEU . . . 171.74 158.1 15.07 Favored Glycine 0 C--O 1.224 -0.527 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.592 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -100.82 143.03 31.47 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 122.626 -0.338 . . . . 0.0 111.041 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.623 HG22 ' HG ' ' A' ' 37' ' ' LEU . 62.4 mt -132.2 133.84 60.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.027 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.623 ' HG ' HG22 ' A' ' 36' ' ' ILE . 70.4 mt 72.98 -177.71 0.19 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.403 0.681 . . . . 0.0 112.806 177.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -81.51 93.48 6.68 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.948 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.483 ' HA ' HG21 ' A' ' 23' ' ' THR . 0.2 OUTLIER -88.67 171.4 10.04 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.076 177.551 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.319 -0.722 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 121.705 0.764 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -143.07 151.0 40.3 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.385 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HB3' ' HE2' ' A' ' 76' ' ' LYS . 43.7 tt0 -74.89 123.27 24.77 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.099 0.476 . . . . 0.0 110.509 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -139.65 155.8 47.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.043 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.08 -114.82 3.51 Favored Glycine 0 N--CA 1.44 -1.047 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 177.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -105.57 -72.25 0.72 Allowed 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 120.961 0.41 . . . . 0.0 111.018 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -105.09 11.44 33.26 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.145 -178.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -142.73 152.54 42.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.673 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.454 HG22 ' OH ' ' A' ' 18' ' ' TYR . 12.2 t -143.49 146.39 33.36 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 69' ' ' GLU . 36.8 ttpt -85.35 103.17 14.02 Favored 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 174.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.621 HD21 ' HA3' ' A' ' 34' ' ' GLY . 3.8 tt -95.55 121.45 37.25 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.423 0.63 . . . . 0.0 110.142 -173.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.415 ' N ' HD23 ' A' ' 77' ' ' LEU . 46.2 m -95.66 96.72 9.21 Favored 'General case' 0 N--CA 1.424 -1.736 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.721 178.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -72.36 -26.76 62.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.066 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.46 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . . . 73.18 -53.51 0.7 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.261 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.405 HD21 ' HB3' ' A' ' 84' ' ' SER . 0.2 OUTLIER -73.25 138.86 45.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.059 0.457 . . . . 0.0 111.441 178.802 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -80.99 -22.22 39.65 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.393 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.1 p -61.37 -45.93 92.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.811 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.405 ' HB3' HD21 ' A' ' 81' ' ' ASN . 35.5 t -86.7 -11.94 49.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.85 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.22 -47.14 87.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.951 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.16 -40.28 94.1 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.672 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -65.08 -22.59 66.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.585 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.526 ' O ' ' HB2' ' A' ' 103' ' ' CYS . . . -64.55 -21.35 66.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.564 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.26 -6.71 51.19 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.726 -178.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.463 HH12 HG21 ' A' ' 94' ' ' THR . 8.0 ptm180 -46.56 124.02 5.54 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.234 0.54 . . . . 0.0 111.286 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -128.37 -6.01 5.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.499 -176.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -61.49 100.54 0.14 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -175.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 38.53 65.42 0.74 Allowed Glycine 0 N--CA 1.472 1.066 0 CA-C-N 115.114 -0.948 . . . . 0.0 114.688 175.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.551 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 23.3 m -116.79 90.12 3.26 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.89 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 93.4 mt -106.34 119.39 55.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.474 ' OH ' ' HB3' ' A' ' 25' ' ' GLN . 9.1 t80 -137.19 133.37 35.1 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -177.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.9 t 67.51 16.43 9.94 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.16 0.505 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.06 -17.03 35.48 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.929 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.36 159.26 42.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.523 0.662 . . . . 0.0 111.605 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -76.53 138.02 39.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.779 177.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.2 pt -97.25 139.76 19.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.208 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.27 144.14 14.86 Favored Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.404 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' CYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 88' ' ' ALA . 49.6 m -131.33 103.42 6.44 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -115.15 159.73 36.74 Favored Pre-proline 0 C--N 1.314 -0.94 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.2 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.45 147.41 91.47 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.432 2.088 . . . . 0.0 111.384 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -57.39 122.87 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.258 0.552 . . . . 0.0 111.903 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -128.3 132.74 48.65 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.914 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -66.05 -40.95 91.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.031 0.444 . . . . 0.0 110.183 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -62.66 -36.64 83.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.733 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.464 ' O ' HD13 ' A' ' 114' ' ' LEU . 49.8 tp -62.75 -44.14 96.98 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.283 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.1 mm -63.16 -45.7 97.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.215 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.0 m -61.3 -40.05 92.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.18 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.56 -50.66 70.44 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.881 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 110' ' ' LEU . 11.3 mp -63.49 -38.01 89.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.628 178.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 34.2 t . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.593 179.295 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 120.704 0.287 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 t -63.71 -42.01 98.01 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.763 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.6 mt -88.79 158.92 17.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.897 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.45 -173.29 16.36 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.185 -0.531 . . . . 0.0 111.923 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m 61.43 -161.51 0.29 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 122.715 0.406 . . . . 0.0 111.286 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -132.47 76.64 1.7 Allowed 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.074 0.464 . . . . 0.0 109.845 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 p -143.87 -164.78 1.96 Allowed 'General case' 0 N--CA 1.4 -2.965 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -121.01 -168.19 1.62 Allowed 'General case' 0 N--CA 1.412 -2.339 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 -177.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.4 m -68.18 -45.42 73.48 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.97 176.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.9 -35.31 4.22 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.838 -0.619 . . . . 0.0 113.03 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -120.53 21.08 11.71 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-O 121.164 0.507 . . . . 0.0 111.646 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.12 140.14 37.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.976 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.9 m -123.45 159.74 27.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 120.926 0.393 . . . . 0.0 111.191 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.6 t -107.78 116.26 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 176.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 62.4 t -107.11 126.6 63.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.087 -178.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -139.36 159.11 42.93 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.961 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.91 34.58 5.39 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.617 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.493 ' HB2' HD11 ' A' ' 22' ' ' ILE . 55.5 p90 -132.45 162.85 30.12 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.534 ' O ' HG12 ' A' ' 22' ' ' ILE . 58.8 ttp180 -127.47 153.72 45.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.137 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 19.9 mp0 -68.77 4.73 1.33 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -177.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.41 0.7 45.85 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 120.657 0.265 . . . . 0.0 111.208 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 19' ' ' ARG . 19.8 pt -120.27 9.05 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -178.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.542 HG23 ' HB2' ' A' ' 37' ' ' LEU . 24.7 m -58.3 -46.82 85.39 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -173.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -61.22 -37.72 84.03 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.251 0.548 . . . . 0.0 109.74 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -78.95 -59.22 2.87 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.535 -176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.417 ' HB ' HD12 ' A' ' 22' ' ' ILE . 15.9 tt -66.55 -36.28 76.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -174.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.45 -37.3 86.78 Favored 'General case' 0 C--O 1.199 -1.583 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.655 -178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.09 -44.67 71.39 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.063 0.227 . . . . 0.0 111.505 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -64.34 -50.41 67.85 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.305 0.483 . . . . 0.0 112.305 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.412 ' HB2' HD11 ' A' ' 36' ' ' ILE . 86.3 m-85 -81.37 -7.68 59.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.843 -175.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.553 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -58.52 -23.55 58.41 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.039 -178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.587 ' OE1' ' HB ' ' A' ' 49' ' ' THR . 60.9 tp60 -58.81 -30.28 67.51 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.479 0.657 . . . . 0.0 109.859 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -102.87 -45.78 4.88 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.558 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.553 ' O ' ' HA ' ' A' ' 31' ' ' ALA . . . -176.05 -163.14 28.18 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.224 -0.512 . . . . 0.0 112.13 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -110.31 156.39 20.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.767 0.283 . . . . 0.0 110.409 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.412 HD11 ' HB2' ' A' ' 30' ' ' PHE . 52.1 mt -114.75 -57.18 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -174.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.542 ' HB2' HG23 ' A' ' 23' ' ' THR . 5.5 mp -106.54 177.98 4.69 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.229 -0.188 . . . . 0.0 111.169 -178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 43.7 mt-10 -92.51 -19.86 21.54 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 -174.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -88.73 98.83 11.91 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.109 -0.636 . . . . 0.0 111.38 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.2 tp -144.27 116.38 8.4 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-O 121.369 0.604 . . . . 0.0 110.805 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -118.8 127.32 53.42 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.074 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.1 p 49.59 94.37 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.564 0.746 . . . . 0.0 111.759 -178.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.63 112.14 18.53 Favored 'General case' 0 N--CA 1.424 -1.758 0 CA-C-O 121.844 0.831 . . . . 0.0 110.947 -174.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.8 mt 58.94 85.25 0.1 Allowed 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 113.854 -1.521 . . . . 0.0 110.214 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.0 -40.94 97.65 Favored Glycine 0 C--N 1.333 0.411 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.708 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' A' ' 47' ' ' THR . 26.7 m-20 -125.18 157.29 36.81 Favored 'General case' 0 CA--C 1.492 -1.268 0 CA-C-O 120.599 0.238 . . . . 0.0 110.629 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.619 HG22 ' H ' ' A' ' 49' ' ' THR . 59.2 m 75.2 -48.25 0.62 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.732 177.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.604 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 47.6 mt-10 59.27 11.14 2.0 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 123.2 0.6 . . . . 0.0 110.732 -175.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.619 ' H ' HG22 ' A' ' 47' ' ' THR . 73.4 p 49.16 24.43 0.95 Allowed 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.856 1.263 . . . . 0.0 113.518 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.0 ptt? 42.29 38.76 1.25 Allowed 'General case' 0 C--N 1.36 1.044 0 C-N-CA 124.033 0.933 . . . . 0.0 112.029 -178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.604 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 19.7 ptt180 -70.55 162.75 28.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.348 -178.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.433 ' C ' ' H ' ' A' ' 54' ' ' GLY . 10.7 m 71.98 136.29 0.05 OUTLIER Pre-proline 0 CA--C 1.548 0.899 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.419 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -70.42 14.87 0.29 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.84 2.36 . . . . 0.0 112.43 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 52' ' ' THR . . . -130.98 14.55 5.45 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.529 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 72.78 -40.95 0.49 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.93 0.892 . . . . 0.0 111.839 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -127.11 155.74 42.84 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.215 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -90.87 123.6 34.52 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.681 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -99.98 104.11 15.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.997 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -158.7 144.05 16.39 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.91 135.41 19.3 Favored Pre-proline 0 C--N 1.31 -1.112 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -175.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.51 -14.0 40.9 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.206 2.604 . . . . 0.0 112.408 178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -89.73 -2.01 58.15 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.849 0.357 . . . . 0.0 111.18 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -133.71 -167.96 2.03 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.608 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -63.0 139.69 58.8 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 38' ' ' GLU . 80.1 mmt-85 -65.66 -40.25 92.25 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.129 0.49 . . . . 0.0 109.833 -177.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.408 HG12 ' H ' ' A' ' 68' ' ' ARG . 15.3 tt -100.97 124.66 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.235 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.896 177.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.3 m -79.25 -12.84 59.95 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.504 -178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.408 ' H ' HG12 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -87.72 150.89 23.32 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.147 176.705 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -74.75 127.36 32.97 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.992 -177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -122.51 150.02 43.13 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.413 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.59 -156.53 16.66 Favored Glycine 0 N--CA 1.436 -1.343 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.589 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -69.06 -44.6 72.27 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.806 0.336 . . . . 0.0 111.494 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.4 p -133.33 13.45 4.18 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.446 ' CD1' ' HB3' ' A' ' 114' ' ' LEU . 69.2 p-90 -139.31 150.37 45.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.485 0.184 . . . . 0.0 111.156 -177.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.6 t -143.46 146.57 33.54 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 120.739 0.304 . . . . 0.0 110.939 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -93.34 108.58 20.21 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.3 mt -100.3 117.25 34.12 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.205 0.526 . . . . 0.0 110.474 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 26.1 m -110.67 120.92 43.99 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.748 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.444 ' C ' ' H ' ' A' ' 81' ' ' ASN . 77.5 m-85 -109.03 -9.07 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.622 -177.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.67 -23.78 0.15 Allowed 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.387 0.675 . . . . 0.0 112.472 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.444 ' H ' ' C ' ' A' ' 79' ' ' TYR . 3.8 m-20 -107.17 137.43 45.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.929 0.395 . . . . 0.0 110.645 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.1 p-80 -68.04 -32.27 72.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.33 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 m -61.11 -47.82 84.53 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.018 0.437 . . . . 0.0 110.672 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.6 m -66.99 -36.68 82.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.274 178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -58.62 -51.07 71.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.978 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 38.8 tp -68.98 -41.74 77.47 Favored 'General case' 0 N--CA 1.433 -1.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.715 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -65.67 -39.51 91.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.777 0.323 . . . . 0.0 111.669 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.19 -13.78 59.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.106 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.56 ' O ' ' HB2' ' A' ' 103' ' ' CYS . 37.1 tp -62.51 -43.33 99.07 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.399 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.493 ' O ' ' HD2' ' A' ' 92' ' ' HIS . 27.1 mmt180 49.35 -113.08 0.58 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.943 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 56.46 26.4 10.81 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-O 121.773 0.797 . . . . 0.0 111.461 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.493 ' HD2' ' O ' ' A' ' 90' ' ' ARG . 24.1 m-70 -115.32 46.28 1.5 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.609 179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.35 35.85 7.81 Favored Glycine 0 CA--C 1.501 -0.799 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.644 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.3 m -91.32 105.21 17.62 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-O 121.032 0.444 . . . . 0.0 110.824 -178.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 96.3 mt -109.48 122.96 64.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.227 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -122.81 125.51 45.59 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.089 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 92.6 m 61.18 22.94 13.2 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.963 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.47 -7.95 58.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.422 -0.894 . . . . 0.0 113.668 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.84 144.58 51.56 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 117.385 0.593 . . . . 0.0 111.121 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -77.65 130.32 36.69 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.263 178.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.4 pt -86.0 149.6 4.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.37 106.72 2.26 Favored Glycine 0 N--CA 1.433 -1.565 0 C-N-CA 120.306 -0.949 . . . . 0.0 112.959 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.56 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 58.5 m -110.4 104.73 13.54 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 175.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.3 m -117.6 162.2 29.93 Favored Pre-proline 0 C--N 1.305 -1.358 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.348 -176.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -64.72 152.98 79.98 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.541 2.161 . . . . 0.0 110.576 176.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -62.29 124.13 20.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.119 0.485 . . . . 0.0 111.542 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.509 ' O ' HG12 ' A' ' 111' ' ' ILE . 99.3 mttt -131.5 128.58 39.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.119 177.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -66.46 -42.98 86.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.58 0.229 . . . . 0.0 111.562 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -65.18 -35.01 79.73 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.075 0.464 . . . . 0.0 110.601 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 51.1 tp -62.48 -40.4 96.55 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.095 178.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 107' ' ' LYS . 45.1 mm -60.99 -43.59 96.4 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.155 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.61 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 47.4 m -60.04 -42.12 93.77 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.48 177.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -66.53 -43.42 85.23 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.208 0.527 . . . . 0.0 110.542 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 82.5 mt -63.15 -39.96 96.2 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.585 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.7 p -71.53 -17.39 62.32 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.61 ' HG3' ' O ' ' A' ' 112' ' ' SER . 84.1 mtp180 -73.07 -50.6 21.98 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.859 0.361 . . . . 0.0 110.618 178.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -77.28 -41.08 42.23 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 121.887 0.851 . . . . 0.0 109.641 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -101.9 59.41 0.59 Allowed Glycine 0 C--N 1.295 -1.731 0 CA-C-N 114.291 -1.322 . . . . 0.0 111.157 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -62.29 124.85 21.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.351 -178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -133.06 -37.76 0.98 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.668 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -144.93 157.99 43.96 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 120.704 0.288 . . . . 0.0 110.543 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.417 ' O ' ' HB3' ' A' ' 123' ' ' HIS . 66.8 m80 -83.04 143.91 30.28 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 175.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.417 ' HB3' ' O ' ' A' ' 122' ' ' HIS . 54.6 t-80 74.54 -37.35 0.35 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.062 0.545 . . . . 0.0 111.725 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 64.3 m80 . . . . . 0 C--N 1.32 -0.701 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.135 179.617 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.5 mtt . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 p -76.03 143.04 41.66 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.885 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 mp -88.77 85.47 6.78 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.989 0.423 . . . . 0.0 110.362 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.88 115.25 4.89 Favored Glycine 0 N--CA 1.437 -1.296 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.352 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 p -134.39 141.92 47.0 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-O 120.925 0.393 . . . . 0.0 110.657 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -95.17 -5.04 44.9 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.429 0.633 . . . . 0.0 109.792 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.6 p -67.99 -39.45 83.25 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.904 -1.043 . . . . 0.0 111.7 -177.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -102.18 59.83 0.83 Allowed 'General case' 0 C--N 1.294 -1.805 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.287 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 p 48.39 76.2 0.12 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 114.815 -1.084 . . . . 0.0 113.347 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -87.99 9.85 72.92 Favored Glycine 0 C--O 1.224 -0.516 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -106.28 13.26 29.01 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.2 0.524 . . . . 0.0 110.418 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.35 142.67 51.38 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.594 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -123.36 157.34 29.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 120.944 0.402 . . . . 0.0 111.322 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 103' ' ' CYS . 48.9 t -111.56 114.86 48.28 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 176.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.9 t -115.73 130.46 70.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 120.949 0.404 . . . . 0.0 110.219 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -144.56 156.2 44.03 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.76 -178.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.71 -21.74 4.43 Favored Glycine 0 C--N 1.32 -0.323 0 C-N-CA 120.343 -0.932 . . . . 0.0 112.474 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -99.73 150.8 21.93 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.933 0.397 . . . . 0.0 110.779 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -74.21 -83.3 0.05 Allowed 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -174.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 179.85 -52.56 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.451 0.643 . . . . 0.0 109.476 -174.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.17 0.37 3.78 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.699 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.408 HD12 ' HB ' ' A' ' 26' ' ' ILE . 1.6 pt -88.2 17.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.559 0.218 . . . . 0.0 110.799 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.523 HG21 ' HB3' ' A' ' 39' ' ' ASP . 35.8 m -45.11 -71.59 0.07 Allowed 'General case' 0 C--O 1.214 -0.797 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -176.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.16 -37.46 74.73 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.195 0.442 . . . . 0.0 112.195 -173.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.496 ' HG2' ' OH ' ' A' ' 96' ' ' TYR . 42.4 tt0 -61.93 -65.82 0.63 Allowed 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.72 -177.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.408 ' HB ' HD12 ' A' ' 22' ' ' ILE . 8.2 tt -70.03 -26.97 30.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 120.962 0.41 . . . . 0.0 111.793 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 23' ' ' THR . 36.5 tp -62.7 -37.51 86.76 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.441 -177.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.92 -34.84 57.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.841 0.353 . . . . 0.0 111.916 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -93.23 -44.0 8.55 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -85.85 -11.53 53.09 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -172.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.51 -19.75 63.72 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 118.125 0.42 . . . . 0.0 110.81 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -67.74 -27.59 66.92 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.164 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.49 ' HB3' ' CE1' ' A' ' 79' ' ' TYR . 89.8 m-85 -88.09 -51.36 5.83 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.603 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.561 ' HA2' ' O ' ' A' ' 51' ' ' ARG . . . 177.23 -167.61 38.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.411 -0.9 . . . . 0.0 112.885 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.595 ' OE1' HG13 ' A' ' 66' ' ' ILE . 42.8 tt0 -82.83 116.91 22.36 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.05 0.452 . . . . 0.0 110.173 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.472 ' O ' HG21 ' A' ' 75' ' ' THR . 38.1 mm -92.97 -53.34 8.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.541 -177.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.43 -172.91 3.62 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.857 -178.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.552 ' OE1' ' HA ' ' A' ' 65' ' ' ARG . 45.0 mt-10 -90.06 -138.85 0.14 Allowed 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.868 -176.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.523 ' HB3' HG21 ' A' ' 23' ' ' THR . 10.0 t70 71.19 -75.26 0.08 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.3 0.64 . . . . 0.0 110.757 -176.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.2 mt 38.34 88.63 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.876 1.27 . . . . 0.0 114.251 177.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -114.22 -74.73 0.61 Allowed 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 119.637 -0.825 . . . . 0.0 110.461 175.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 p -76.09 -50.95 13.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.381 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' CD ' HH12 ' A' ' 51' ' ' ARG . 8.6 pt-20 42.31 82.47 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.128 1.159 . . . . 0.0 114.128 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 44' ' ' LEU . 5.9 mp 56.71 -172.8 0.08 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.79 0.836 . . . . 0.0 112.536 177.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.5 123.09 2.41 Favored Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.824 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 70.99 -31.8 0.23 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.007 0.923 . . . . 0.0 112.875 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.2 m -81.43 64.23 6.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.903 0.859 . . . . 0.0 109.879 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 51' ' ' ARG . 41.7 tt0 -100.43 -28.45 12.92 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.061 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.0 p -75.51 139.32 42.11 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.067 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.5 ttp 64.39 74.7 0.4 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.293 0.568 . . . . 0.0 111.384 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.561 ' O ' ' HA2' ' A' ' 34' ' ' GLY . 78.6 mtp180 -126.76 3.72 6.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.085 178.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 p -155.92 115.81 2.21 Favored Pre-proline 0 C--N 1.314 -0.962 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.521 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.49 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 90.6 Cg_endo -83.8 16.26 1.95 Allowed 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.788 2.325 . . . . 0.0 112.207 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -151.43 -109.71 0.45 Allowed Glycine 0 N--CA 1.44 -1.067 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.752 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -79.77 128.6 33.62 Favored 'General case' 0 N--CA 1.425 -1.699 0 C-N-CA 122.772 0.429 . . . . 0.0 110.086 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -77.32 143.48 38.77 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.119 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -77.46 -35.1 54.21 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 69.56 122.4 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.422 0.689 . . . . 0.0 112.136 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -82.34 85.78 6.82 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.985 0.421 . . . . 0.0 110.044 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -112.88 114.35 49.26 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.87 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -61.95 136.79 63.4 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.586 2.191 . . . . 0.0 111.212 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 54.24 84.82 0.06 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.29 0.567 . . . . 0.0 111.755 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -119.61 175.66 5.75 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.076 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.673 ' O ' ' HG3' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -61.58 -54.17 46.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.204 178.757 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.673 ' HG3' ' O ' ' A' ' 64' ' ' ARG . 70.3 mtt-85 -178.63 -173.44 0.32 Allowed 'General case' 0 C--N 1.317 -0.817 0 C-N-CA 126.099 1.759 . . . . 0.0 109.646 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.595 HG13 ' OE1' ' A' ' 35' ' ' GLU . 4.3 tt -52.25 150.07 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 O-C-N 124.089 0.868 . . . . 0.0 110.246 175.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 t -77.08 20.51 0.26 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 121.141 0.496 . . . . 0.0 111.525 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' H ' HG12 ' A' ' 66' ' ' ILE . 16.7 tpp180 -143.36 158.17 43.86 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -73.02 111.2 7.91 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.81 0.814 . . . . 0.0 111.47 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -129.31 128.27 42.83 Favored 'General case' 0 N--CA 1.44 -0.947 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.016 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.47 -119.85 3.48 Favored Glycine 0 N--CA 1.433 -1.543 0 C-N-CA 120.427 -0.892 . . . . 0.0 110.968 178.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.6 mtm180 -91.48 -76.35 0.45 Allowed 'General case' 0 C--N 1.309 -1.154 0 CA-C-O 120.892 0.377 . . . . 0.0 109.993 178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 p -107.6 3.01 24.38 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.13 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -113.08 135.92 53.27 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.509 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.472 HG21 ' O ' ' A' ' 36' ' ' ILE . 39.2 m -135.23 129.3 33.45 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.025 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -84.59 126.95 33.79 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 173.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.431 HD13 ' OH ' ' A' ' 79' ' ' TYR . 96.1 mt -112.89 115.55 28.62 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.223 0.535 . . . . 0.0 110.974 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 87.9 m -110.34 114.06 27.22 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.624 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.49 ' CE1' ' HB3' ' A' ' 33' ' ' PHE . 92.9 m-85 -108.45 -1.52 19.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.91 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.71 -41.37 0.48 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.574 0.749 . . . . 0.0 112.396 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.49 ' ND2' ' HB2' ' A' ' 53' ' ' PRO . 33.7 m-80 -86.36 140.75 29.74 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 120.966 0.413 . . . . 0.0 110.705 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.521 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 33.9 t-80 -84.59 -19.88 32.34 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.006 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.4 m -61.44 -40.2 93.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.703 178.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.4 p -80.14 -12.0 59.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.555 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.521 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 67.1 t80 -60.3 -46.72 88.88 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.042 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.98 -42.77 99.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.279 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -68.51 -40.01 81.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.184 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.51 -13.63 59.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.942 0.401 . . . . 0.0 111.466 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.588 ' HA ' ' SG ' ' A' ' 103' ' ' CYS . 39.8 tp -83.04 -6.56 59.54 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.173 -178.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -59.39 125.44 23.65 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 121.507 0.67 . . . . 0.0 112.474 -175.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -138.69 6.44 2.47 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.198 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -75.77 95.76 3.52 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.472 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 68.13 26.5 74.06 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.472 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.0 m -93.26 99.54 12.07 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-O 121.006 0.432 . . . . 0.0 111.325 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 96.8 mt -116.01 126.61 73.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.016 178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.496 ' OH ' ' HG2' ' A' ' 25' ' ' GLN . 12.0 t80 -139.03 134.31 32.83 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.897 -178.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.4 t 69.2 12.45 8.46 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.114 0.483 . . . . 0.0 111.299 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.72 -0.93 52.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.602 -0.808 . . . . 0.0 113.094 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.82 156.13 48.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.961 0.381 . . . . 0.0 111.1 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -88.78 129.92 35.46 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.248 178.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 30.4 pt -84.93 132.87 30.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 120.999 0.428 . . . . 0.0 110.161 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.26 131.92 10.76 Favored Glycine 0 CA--C 1.496 -1.134 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.346 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.588 ' SG ' ' HA ' ' A' ' 89' ' ' LEU . 42.4 t -131.21 124.22 30.13 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 121.068 0.461 . . . . 0.0 110.315 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.7 m -132.5 161.57 62.44 Favored Pre-proline 0 C--N 1.31 -1.121 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.308 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.37 154.42 73.69 Favored 'Trans proline' 0 C--O 1.24 0.58 0 C-N-CA 122.646 2.23 . . . . 0.0 111.595 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -59.26 106.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.184 0.516 . . . . 0.0 110.801 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.553 ' O ' HG12 ' A' ' 111' ' ' ILE . 57.8 mtmt -116.0 126.5 53.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.108 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -56.91 -41.3 77.9 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -177.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.19 -44.45 95.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.914 0.387 . . . . 0.0 110.869 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.554 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 59.8 tp -62.86 -43.28 99.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.564 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 107' ' ' LYS . 46.2 mm -62.31 -42.94 97.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.243 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.7 t -60.73 -45.03 95.83 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.318 178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -64.82 -41.01 96.1 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.046 0.451 . . . . 0.0 110.924 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 88.8 mt -64.55 -38.53 91.33 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.251 0.548 . . . . 0.0 110.903 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 41.3 m -79.06 -2.58 41.11 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.345 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -58.33 -44.17 88.57 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 120.82 0.343 . . . . 0.0 111.379 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -100.26 16.58 23.84 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.2 0.524 . . . . 0.0 110.425 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -81.86 -12.54 81.16 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.064 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -152.27 154.26 35.37 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -141.77 166.5 24.56 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 123.168 0.293 . . . . 0.0 111.157 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 83.5 t60 71.73 -46.8 0.65 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.926 0.89 . . . . 0.0 111.816 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -61.94 126.43 27.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.997 0.427 . . . . 0.0 110.55 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -124.85 -167.02 1.61 Allowed 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 75.6 m80 . . . . . 0 C--N 1.318 -0.8 0 CA-C-O 118.723 -0.656 . . . . 0.0 109.92 -179.834 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.472 0.646 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m 58.27 53.64 6.33 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 123.616 0.572 . . . . 0.0 111.339 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 62.91 -176.1 0.15 Allowed 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.618 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.12 45.68 5.56 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.389 -0.91 . . . . 0.0 112.108 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -63.12 -36.26 83.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.907 0.384 . . . . 0.0 111.111 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 60.6 33.81 20.32 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 123.581 0.752 . . . . 0.0 111.391 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.5 p -70.75 -61.33 1.81 Allowed 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.062 0.458 . . . . 0.0 110.741 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 51.74 86.05 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.514 -1.221 . . . . 0.0 112.547 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.5 t -81.47 -18.62 44.58 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.135 0.493 . . . . 0.0 110.278 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 85.9 -148.32 22.44 Favored Glycine 0 N--CA 1.44 -1.091 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.839 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -96.27 22.18 8.06 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.985 0.421 . . . . 0.0 111.172 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.77 129.41 35.56 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.627 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.5 m -129.87 164.97 31.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.803 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.3 t -116.48 126.97 74.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.628 HG22 ' SG ' ' A' ' 103' ' ' CYS . 22.6 t -114.25 131.2 66.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -143.03 164.83 29.02 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 121.029 0.442 . . . . 0.0 111.868 -177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.77 -6.89 20.02 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.697 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.458 ' HB2' HG12 ' A' ' 22' ' ' ILE . 38.2 p90 -122.23 175.69 6.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.796 0.331 . . . . 0.0 111.154 -179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -136.27 164.87 27.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.381 -179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.492 ' HA ' HD23 ' A' ' 37' ' ' LEU . 16.9 tp10 -69.32 85.46 0.4 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.411 0.624 . . . . 0.0 109.438 178.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.47 -37.18 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.02 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.458 HG12 ' HB2' ' A' ' 18' ' ' TYR . 2.8 pp -87.51 12.09 1.32 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.497 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.548 HG23 ' HB2' ' A' ' 37' ' ' LEU . 7.2 m -45.04 -72.88 0.05 OUTLIER 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 114.094 -1.412 . . . . 0.0 113.845 -173.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -61.17 -35.46 77.17 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 120.737 0.304 . . . . 0.0 111.563 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -61.24 -58.17 9.37 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.359 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.509 HG23 HG12 ' A' ' 36' ' ' ILE . 8.6 tt -69.95 -26.37 29.92 Favored 'Isoleucine or valine' 0 C--O 1.241 0.63 0 CA-C-O 121.203 0.525 . . . . 0.0 110.627 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 23' ' ' THR . 8.9 tt -60.95 -41.17 95.79 Favored 'General case' 0 C--O 1.209 -1.04 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.047 -178.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.86 -25.01 55.7 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -91.69 -49.18 6.42 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -89.94 -8.68 51.18 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -174.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.14 -3.94 12.14 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -55.29 -40.0 70.53 Favored 'General case' 0 CA--C 1.515 -0.387 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -106.68 -9.96 16.31 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.007 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.434 ' HA3' ' HA ' ' A' ' 51' ' ' ARG . . . 84.15 166.86 41.49 Favored Glycine 0 C--O 1.224 -0.492 0 CA-C-N 115.736 -0.665 . . . . 0.0 114.457 175.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' HG3' HG13 ' A' ' 66' ' ' ILE . 41.6 tt0 66.45 112.66 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.068 0.947 . . . . 0.0 112.496 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.574 HG13 HD12 ' A' ' 37' ' ' LEU . 8.3 tp -145.65 -47.86 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-O 121.013 0.435 . . . . 0.0 111.332 179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.574 HD12 HG13 ' A' ' 36' ' ' ILE . 6.7 mp -144.38 -169.87 3.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -178.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.472 ' O ' ' HD3' ' A' ' 65' ' ' ARG . 45.7 mt-10 -81.51 -47.99 12.41 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.413 ' HB3' HG21 ' A' ' 23' ' ' THR . 13.6 t70 -72.47 115.27 11.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.549 0.69 . . . . 0.0 110.661 -175.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.72 104.59 3.75 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.019 -171.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -176.54 123.14 0.16 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.54 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.7 m 57.73 83.8 0.11 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 177.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -135.37 -66.28 0.58 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.767 0.317 . . . . 0.0 110.697 177.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mp -111.99 134.06 53.78 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 -178.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.95 -17.37 59.65 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.576 ' O ' HG22 ' A' ' 47' ' ' THR . 29.9 t70 -109.85 155.2 21.98 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 46' ' ' ASP . 1.4 t 59.69 15.81 5.0 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 124.28 1.032 . . . . 0.0 112.23 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.461 ' OE2' ' HD2' ' A' ' 51' ' ' ARG . 2.5 tm-20 -66.97 -34.4 77.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.694 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.0 t -81.15 -2.26 47.79 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.6 mmm -94.97 -3.06 49.21 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 120.941 0.4 . . . . 0.0 110.633 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.461 ' HD2' ' OE2' ' A' ' 48' ' ' GLU . 95.9 mtt180 -70.28 104.66 2.73 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.905 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.1 m 59.85 81.25 0.25 Allowed Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.961 -178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.47 106.95 0.64 Allowed 'Trans proline' 0 C--N 1.323 -0.773 0 C-N-CA 123.471 2.78 . . . . 0.0 111.831 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.75 -61.53 0.66 Allowed Glycine 0 N--CA 1.444 -0.826 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.805 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -126.83 100.77 6.31 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.911 0.386 . . . . 0.0 110.648 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -71.95 151.93 42.91 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.29 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -72.48 146.54 46.8 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.983 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.423 ' CD ' ' HG3' ' A' ' 63' ' ' ARG . 53.5 tt0 -112.94 117.46 32.14 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -81.86 82.86 7.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.365 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.11 147.0 24.94 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.371 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.3 -20.23 61.99 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.751 2.301 . . . . 0.0 112.353 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -92.41 3.64 55.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.411 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.423 ' HG3' ' CD ' ' A' ' 58' ' ' GLN . 39.1 mmt180 -128.37 173.24 10.36 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.755 0.788 . . . . 0.0 112.199 -178.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -98.42 141.02 31.81 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.483 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' A' ' 38' ' ' GLU . 99.8 mtt180 -66.43 -38.06 86.56 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.618 -178.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.475 HG13 ' HG3' ' A' ' 35' ' ' GLU . 5.1 tt -115.66 132.83 63.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.764 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.0 t -65.48 -43.08 91.36 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.373 -177.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 76' ' ' LYS . 5.7 tpm_? -82.46 154.68 25.0 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.682 -179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -74.53 145.05 43.78 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 121.009 0.433 . . . . 0.0 110.767 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -134.14 161.24 35.42 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.104 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.555 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -110.28 -118.4 3.94 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.301 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -111.64 -73.17 0.68 Allowed 'General case' 0 CA--C 1.502 -0.872 0 CA-C-O 120.834 0.349 . . . . 0.0 110.723 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 p -102.44 13.15 35.3 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.11 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.555 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 38.4 p-90 -137.32 140.66 41.65 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.518 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.4 m -130.11 129.02 43.0 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.301 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.501 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 87.0 tttt -86.45 131.06 34.28 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 176.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.6 mt -126.59 134.94 50.68 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.72 0.295 . . . . 0.0 111.654 -178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 83.1 m -112.22 100.28 8.7 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.996 0.427 . . . . 0.0 110.492 176.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.472 ' HB3' ' OG ' ' A' ' 84' ' ' SER . 96.3 m-85 -78.67 -24.4 45.15 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.618 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.8 -34.51 0.3 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.75 0.82 . . . . 0.0 112.842 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -100.79 141.27 33.91 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.639 0.257 . . . . 0.0 110.745 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -66.09 -35.49 80.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.337 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 m -58.13 -45.95 86.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.138 0.494 . . . . 0.0 110.213 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.472 ' OG ' ' HB3' ' A' ' 79' ' ' TYR . 4.1 p -74.66 -32.05 62.12 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.561 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -59.74 -49.34 78.1 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.641 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.6 tp -70.44 -27.05 63.95 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.6 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.655 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 93.4 mtt180 -76.3 -14.15 60.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.609 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 103' ' ' CYS . . . -75.4 -13.3 60.39 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.011 0.434 . . . . 0.0 111.302 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.89 -4.28 27.25 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 123.377 0.671 . . . . 0.0 112.748 -176.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 87' ' ' ARG . 31.2 mmm180 -47.65 89.66 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -176.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -158.84 88.72 0.91 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.773 0.797 . . . . 0.0 109.312 174.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -136.36 30.69 2.93 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 104.99 38.37 2.52 Favored Glycine 0 N--CA 1.434 -1.441 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -174.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.723 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 4.1 m -84.07 81.24 8.88 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-O 121.126 0.489 . . . . 0.0 111.633 -175.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.515 HD13 ' N ' ' A' ' 100' ' ' ALA . 3.2 mm -85.49 116.7 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.547 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -128.87 127.51 41.98 Favored 'General case' 0 N--CA 1.432 -1.352 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 16.1 t 64.32 13.92 8.36 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.032 0.444 . . . . 0.0 111.131 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.24 -17.4 16.86 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.804 -0.712 . . . . 0.0 113.858 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.44 153.66 51.8 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 117.74 0.77 . . . . 0.0 112.533 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.723 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -82.42 140.85 33.2 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.495 -179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 38.0 pt -102.92 126.15 57.2 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.61 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -116.11 131.98 9.92 Favored Glycine 0 N--CA 1.437 -1.253 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.358 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.628 ' SG ' HG22 ' A' ' 15' ' ' VAL . 48.1 t -131.06 134.4 46.6 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 120.952 0.406 . . . . 0.0 110.751 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.0 m -137.72 166.65 24.76 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.098 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.12 150.78 85.37 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.199 1.933 . . . . 0.0 110.818 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -54.45 110.66 0.66 Allowed 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.286 0.565 . . . . 0.0 111.455 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.477 ' O ' HG12 ' A' ' 111' ' ' ILE . 71.7 mmtt -110.94 125.93 54.21 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.362 178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -64.47 -41.03 96.73 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.262 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.84 -39.33 93.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.171 0.51 . . . . 0.0 109.914 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.8 tp -62.21 -41.69 98.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.607 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 107' ' ' LYS . 36.7 mm -62.28 -43.34 97.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.234 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 38.4 m -59.93 -44.02 94.59 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 116.782 -0.19 . . . . 0.0 111.171 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -62.57 -45.78 91.36 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.098 0.475 . . . . 0.0 110.815 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.503 HD13 ' CG ' ' A' ' 74' ' ' TRP . 96.9 mt -64.85 -40.67 95.52 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.841 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.7 t -63.02 -42.62 99.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.28 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 54.5 ptt85 -69.52 -10.79 59.58 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.402 -0.519 . . . . 0.0 112.015 -177.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.53 -8.79 54.0 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.366 0.603 . . . . 0.0 110.903 175.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -72.68 -27.76 68.59 Favored Glycine 0 N--CA 1.437 -1.298 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 173.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 57.22 29.16 16.23 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.796 0.839 . . . . 0.0 112.001 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -99.24 -11.23 21.48 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.967 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 34.5 t60 72.61 137.41 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.849 0.859 . . . . 0.0 110.628 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -82.08 -65.59 0.99 Allowed 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 63.68 -82.3 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.297 0.639 . . . . 0.0 111.533 -176.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 . . . . . 0 C--N 1.318 -0.795 0 CA-C-O 118.677 -0.678 . . . . 0.0 109.477 -179.295 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ptt? . . . . . 0 N--CA 1.478 0.928 0 CA-C-O 120.539 0.209 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m 64.72 16.03 10.14 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.379 0.671 . . . . 0.0 112.311 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.4 mt -70.5 -38.16 74.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.803 0.335 . . . . 0.0 110.987 178.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.55 -154.61 6.19 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.411 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 m -83.78 157.56 22.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.71 0.291 . . . . 0.0 110.413 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -64.9 -29.68 70.64 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.364 0.602 . . . . 0.0 110.675 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.9 m 67.73 25.45 8.06 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.897 -1.047 . . . . 0.0 113.013 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -88.89 87.1 7.11 Favored 'General case' 0 N--CA 1.418 -2.07 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.2 p -61.09 -46.92 88.67 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 115.049 -0.978 . . . . 0.0 112.045 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.24 -31.29 1.36 Allowed Glycine 0 CA--C 1.522 0.508 0 C-N-CA 121.188 -0.529 . . . . 0.0 113.207 178.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -89.04 10.54 21.28 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.29 0.567 . . . . 0.0 110.703 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.89 141.74 51.18 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.229 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.425 HG13 ' CE1' ' A' ' 85' ' ' TYR . 29.7 m -118.54 156.54 20.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-O 121.028 0.442 . . . . 0.0 110.951 -178.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.6 t -106.59 119.85 56.77 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.47 HG22 ' SG ' ' A' ' 103' ' ' CYS . 57.2 t -100.34 121.47 51.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -141.88 164.84 29.11 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.982 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 123.17 -17.62 7.98 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.136 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -96.01 171.9 8.34 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 110.537 -0.171 . . . . 0.0 110.537 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -90.0 -83.14 0.25 Allowed 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -178.32 -42.25 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.261 0 CA-C-O 121.132 0.491 . . . . 0.0 110.115 -176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.08 24.51 3.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -176.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 pp -109.62 8.36 8.96 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.341 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 m -57.97 -46.03 85.8 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.252 -174.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HE2' ' OD2' ' A' ' 39' ' ' ASP . 70.5 mmtt -48.97 -36.53 17.74 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 122.715 0.406 . . . . 0.0 111.611 -177.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -80.5 -60.98 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.6 tt -66.53 -29.09 45.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 -174.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.611 HD21 ' HG2' ' A' ' 43' ' ' GLU . 51.3 tp -60.91 -43.52 98.45 Favored 'General case' 0 C--O 1.21 -0.99 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -176.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.15 -22.83 43.04 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -86.98 -48.05 8.44 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -92.1 -8.63 45.2 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -175.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.522 ' O ' ' HD3' ' A' ' 51' ' ' ARG . . . -64.97 -14.41 60.14 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 120.813 0.34 . . . . 0.0 111.281 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -68.22 -25.32 65.15 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.174 0.511 . . . . 0.0 110.001 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -109.88 -44.24 3.85 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.379 -176.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -158.65 -162.3 11.78 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 119.826 -1.178 . . . . 0.0 113.532 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' CD ' HH21 ' A' ' 68' ' ' ARG . 0.0 OUTLIER -111.23 136.71 49.93 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 122.931 0.492 . . . . 0.0 111.588 -178.255 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.731 HG22 HD12 ' A' ' 37' ' ' LEU . 59.2 mt -132.56 132.24 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.731 HD12 HG22 ' A' ' 36' ' ' ILE . 1.5 mp 69.14 -178.93 0.22 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.194 0.597 . . . . 0.0 111.37 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.602 ' HB3' ' NH2' ' A' ' 65' ' ' ARG . 36.6 mt-10 -103.55 -41.43 5.98 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.471 ' OD2' ' HE2' ' A' ' 24' ' ' LYS . 38.9 t70 -78.53 96.44 5.44 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.079 0.466 . . . . 0.0 110.165 -178.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.8 mt -100.88 -104.5 0.24 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.507 -0.77 . . . . 0.0 111.25 -174.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.431 ' HA ' ' OE1' ' A' ' 41' ' ' GLU . 5.2 mm-40 66.26 147.56 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.2 p 46.42 49.8 12.97 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.167 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.611 ' HG2' HD21 ' A' ' 27' ' ' LEU . 37.7 mt-10 -77.76 -82.64 0.09 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.544 -176.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.0 mt -124.3 -177.06 3.67 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.737 -178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.2 -87.45 1.66 Allowed Glycine 0 N--CA 1.44 -1.039 0 C-N-CA 120.163 -1.017 . . . . 0.0 111.097 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -124.2 11.31 8.78 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.352 0.596 . . . . 0.0 110.346 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.9 p -94.7 10.34 35.37 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.754 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.616 ' HG3' ' HE ' ' A' ' 51' ' ' ARG . 38.6 tt0 -60.33 -23.19 64.04 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.661 178.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.2 p -63.7 -25.22 68.1 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.042 0.449 . . . . 0.0 110.781 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.4 tpt -65.57 -37.24 86.11 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.01 178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.616 ' HE ' ' HG3' ' A' ' 48' ' ' GLU . 37.2 ptt180 -88.77 159.24 17.86 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.105 -178.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.462 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 70.1 p 57.35 125.18 0.01 OUTLIER Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 124.894 1.278 . . . . 0.0 114.177 176.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 52' ' ' THR . 39.4 Cg_exo -62.93 -18.3 64.29 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.781 2.321 . . . . 0.0 112.076 178.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -139.28 80.96 0.27 Allowed Glycine 0 C--N 1.302 -1.323 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.895 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -79.24 71.95 5.79 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.713 0.768 . . . . 0.0 111.668 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -76.48 -47.88 21.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.87 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -63.3 -45.83 89.56 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 54.34 79.34 0.14 Allowed 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.459 0.475 . . . . 0.0 111.149 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 40.57 79.69 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.692 0.797 . . . . 0.0 112.468 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.85 87.0 17.22 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.036 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.8 -17.94 41.88 Favored 'Trans proline' 0 CA--C 1.528 0.217 0 C-N-CA 122.799 2.333 . . . . 0.0 112.976 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -97.29 7.91 45.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.904 0.383 . . . . 0.0 111.215 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -132.91 -157.08 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.264 0.555 . . . . 0.0 111.451 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.402 ' H ' ' HG3' ' A' ' 64' ' ' ARG . 33.6 mtt-85 -71.97 128.69 36.52 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.302 -177.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.602 ' NH2' ' HB3' ' A' ' 38' ' ' GLU . 1.3 mpp_? -87.0 -63.62 1.28 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.1 0.476 . . . . 0.0 110.632 -178.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.484 HG12 ' H ' ' A' ' 68' ' ' ARG . 14.4 tt -120.55 125.78 74.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.996 179.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t -104.28 37.3 2.13 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.762 0.791 . . . . 0.0 109.344 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.64 ' NH1' ' HB ' ' A' ' 78' ' ' THR . 39.3 ttm-85 -123.9 154.82 39.17 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.957 -1.019 . . . . 0.0 108.776 -177.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -75.05 139.77 43.07 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.082 0.468 . . . . 0.0 111.248 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -157.02 159.71 38.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.858 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.68 -79.94 1.49 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 109.799 -1.321 . . . . 0.0 109.799 175.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -174.57 -43.32 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 123.131 0.572 . . . . 0.0 110.249 175.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.1 p -96.44 -5.72 38.99 Favored 'General case' 0 N--CA 1.428 -1.561 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.135 178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -147.05 145.99 29.85 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.085 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.4 HG23 ' CD2' ' A' ' 77' ' ' LEU . 14.8 t -143.85 147.44 34.07 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 173.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -85.84 122.52 30.03 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.052 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.4 ' CD2' HG23 ' A' ' 75' ' ' THR . 4.4 mm? -98.96 114.62 27.34 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.27 0.557 . . . . 0.0 111.258 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.64 ' HB ' ' NH1' ' A' ' 68' ' ' ARG . 19.0 m -111.86 96.24 5.95 Favored 'General case' 0 N--CA 1.435 -1.186 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.696 178.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -89.73 -15.14 33.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.998 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.28 -45.71 0.62 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.723 0.809 . . . . 0.0 111.976 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -79.65 137.96 37.24 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 121.053 0.454 . . . . 0.0 110.677 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.464 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 67.0 t60 -66.85 -37.84 85.22 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.538 -178.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.616 ' O ' ' HG2' ' A' ' 87' ' ' ARG . 4.1 p -60.88 -48.17 83.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.465 -179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.9 p -68.74 -29.08 67.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.055 0.455 . . . . 0.0 110.969 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.464 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 63.9 t80 -59.79 -49.52 77.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.599 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.3 tp -67.12 -34.14 76.97 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.237 -177.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 83' ' ' SER . 39.0 mmt180 -65.88 -17.21 64.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.767 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -93.19 -12.22 30.82 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.783 0.66 . . . . 0.0 112.783 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.9 tp -60.15 -49.12 78.89 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 111.633 0.234 . . . . 0.0 111.633 -175.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 46.26 34.55 2.24 Favored 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 176.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -91.83 61.99 4.26 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.182 0.515 . . . . 0.0 110.129 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -168.08 91.6 0.32 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 50.57 36.31 31.27 Favored Glycine 0 N--CA 1.465 0.607 0 CA-C-N 116.051 -0.522 . . . . 0.0 113.782 176.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 30.9 m -96.63 85.19 3.8 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.265 0.555 . . . . 0.0 110.517 -179.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.533 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 82.5 mt -99.83 120.93 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.429 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -116.35 122.98 46.47 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.9 t 70.37 -52.79 0.65 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.85 0.86 . . . . 0.0 112.438 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -160.45 -25.24 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.196 -1.002 . . . . 0.0 113.566 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.75 155.89 49.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.317 0.559 . . . . 0.0 111.328 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.533 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -73.47 141.28 46.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.171 177.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 38.5 pt -89.36 129.19 40.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.066 0 CA-C-O 121.042 0.449 . . . . 0.0 109.939 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.98 124.26 8.18 Favored Glycine 0 N--CA 1.436 -1.33 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.297 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.47 ' SG ' HG22 ' A' ' 15' ' ' VAL . 38.5 m -127.74 119.87 26.7 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 120.957 0.408 . . . . 0.0 110.273 178.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.4 m -133.27 158.48 75.62 Favored Pre-proline 0 C--N 1.315 -0.899 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -61.21 147.28 96.04 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.211 1.941 . . . . 0.0 110.724 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -56.51 123.33 14.41 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.15 0.5 . . . . 0.0 111.598 -177.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -135.5 151.9 50.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.883 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 69.0 m80 -64.53 -48.2 75.96 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.283 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' A' ' 113' ' ' GLU . 9.6 tp10 -66.73 -34.98 79.05 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.124 -178.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.533 ' O ' HD23 ' A' ' 114' ' ' LEU . 2.8 tm? -58.88 -47.79 83.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.882 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.2 mm -64.93 -43.15 96.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.277 0.56 . . . . 0.0 110.344 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.7 m -61.41 -40.74 95.51 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.595 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.624 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 68.4 mt-10 -66.72 -42.91 85.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 111.312 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 110' ' ' LEU . 2.8 mm? -64.57 -38.56 91.42 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.991 0.424 . . . . 0.0 111.578 177.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.2 p -79.04 -5.66 54.51 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 -176.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.624 ' HG2' ' O ' ' A' ' 113' ' ' GLU . 15.6 ptm180 -65.88 -20.02 66.08 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.09 -178.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -130.53 11.01 5.27 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.654 0.74 . . . . 0.0 109.237 175.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -107.88 -26.04 5.69 Favored Glycine 0 N--CA 1.444 -0.796 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.851 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -98.35 92.79 5.86 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -85.48 45.32 1.18 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.438 -178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -138.37 150.04 46.17 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.236 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -84.78 128.05 34.42 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.829 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -72.34 115.09 11.18 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 6.5 p80 . . . . . 0 C--N 1.313 -0.996 0 CA-C-O 118.32 -0.848 . . . . 0.0 110.22 -179.881 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 110.046 -0.354 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -129.59 154.55 46.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.802 0.334 . . . . 0.0 110.704 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.49 154.26 26.4 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.661 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.0 111.59 1.84 Allowed Glycine 0 N--CA 1.437 -1.256 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -130.6 155.52 46.4 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-O 121.4 0.619 . . . . 0.0 112.504 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -84.93 66.91 9.97 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.638 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.4 p -76.32 -1.4 26.52 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.507 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -94.07 4.41 53.94 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.214 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.3 p -76.88 -53.31 8.05 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.829 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 57.48 -112.39 3.66 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.032 -0.604 . . . . 0.0 112.695 178.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -120.5 19.73 11.94 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.009 0.433 . . . . 0.0 110.282 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.52 140.15 34.71 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.782 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.1 m -133.58 164.5 34.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.949 178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.2 t -118.29 128.38 75.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.583 HG22 ' SG ' ' A' ' 103' ' ' CYS . 8.3 t -109.18 135.1 49.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -145.52 157.82 43.94 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.892 0.377 . . . . 0.0 111.79 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.89 35.47 2.19 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.69 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.5 ' HB2' HD11 ' A' ' 22' ' ' ILE . 31.9 p90 -151.64 168.05 26.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.871 0.336 . . . . 0.0 111.372 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -133.92 167.8 19.93 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.989 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.98 93.29 1.36 Allowed 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 177.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 178.79 -33.38 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.784 0.802 . . . . 0.0 109.489 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.5 HD11 ' HB2' ' A' ' 18' ' ' TYR . 2.9 pp -99.27 16.95 3.26 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.525 -177.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.463 HG23 ' HB2' ' A' ' 37' ' ' LEU . 19.6 m -58.74 -48.46 81.11 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -173.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -61.26 -37.15 82.07 Favored 'General case' 0 C--N 1.315 -0.9 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.412 -176.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -66.08 -54.23 28.33 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.05 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.527 HG23 ' CD1' ' A' ' 30' ' ' PHE . 8.4 mt -64.69 -39.93 87.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.604 0.24 . . . . 0.0 111.338 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.485 HD22 ' HB2' ' A' ' 31' ' ' ALA . 1.2 tm? -57.89 -41.42 82.51 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.897 177.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.96 -29.07 69.43 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.404 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 85.2 t80 -93.72 -47.35 6.82 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.527 ' CD1' HG23 ' A' ' 26' ' ' ILE . 60.3 m-85 -84.62 -6.55 59.37 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -174.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.633 ' O ' ' HD2' ' A' ' 51' ' ' ARG . . . -59.99 -6.79 1.46 Allowed 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 178.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -64.43 -28.96 70.03 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.981 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -138.24 -69.37 0.44 Allowed 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -177.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -98.89 177.17 30.16 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 115.811 1.084 . . . . 0.0 115.811 -171.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -108.67 130.59 55.34 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.033 0.933 . . . . 0.0 109.345 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.569 HG13 HD21 ' A' ' 77' ' ' LEU . 2.8 mp -131.33 137.63 55.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.371 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.536 HD12 HG22 ' A' ' 36' ' ' ILE . 2.0 mp 64.59 -167.48 0.22 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.368 0.667 . . . . 0.0 111.588 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -123.06 -11.48 8.05 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 -175.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -90.02 82.84 6.08 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.263 0.554 . . . . 0.0 110.949 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.62 -54.01 6.03 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.59 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 62.22 -81.54 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 O-C-N 123.594 0.559 . . . . 0.0 111.269 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -114.13 102.8 10.49 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.619 ' HG2' ' NH1' ' A' ' 65' ' ' ARG . 1.6 mp0 -91.13 22.19 3.9 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.244 -172.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER 45.97 73.51 0.17 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.323 0.582 . . . . 0.0 112.342 -179.767 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.07 167.12 42.73 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.377 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.27 5.57 48.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.609 0.719 . . . . 0.0 110.006 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.1 t -78.11 17.2 0.63 Allowed 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.053 178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.3 -38.11 85.63 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.26 0.552 . . . . 0.0 109.793 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.616 ' HB ' ' HA ' ' A' ' 58' ' ' GLN . 15.2 t -65.67 -18.16 65.12 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.495 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.4 tpt -104.11 -3.03 25.01 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.402 0.62 . . . . 0.0 110.136 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.633 ' HD2' ' O ' ' A' ' 31' ' ' ALA . 13.3 tpp180 -68.46 -48.1 65.41 Favored 'General case' 0 CA--C 1.503 -0.85 0 CA-C-O 122.209 1.004 . . . . 0.0 109.01 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.769 ' HB ' ' CE1' ' A' ' 55' ' ' TYR . 1.0 OUTLIER -105.56 128.6 26.2 Favored Pre-proline 0 C--N 1.285 -2.228 0 CA-C-N 113.273 -1.785 . . . . 0.0 108.339 177.52 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 52' ' ' THR . 13.8 Cg_exo -67.93 117.55 4.98 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.23 1.953 . . . . 0.0 114.008 -175.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.18 88.64 0.11 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.855 -0.611 . . . . 0.0 113.917 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.769 ' CE1' ' HB ' ' A' ' 52' ' ' THR . 6.8 m-85 -131.37 177.5 7.43 Favored 'General case' 0 N--CA 1.438 -1.063 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -96.48 6.27 49.1 Favored 'General case' 0 C--N 1.308 -1.211 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -168.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -160.68 159.46 30.31 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.312 -0.555 . . . . 0.0 111.41 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.616 ' HA ' ' HB ' ' A' ' 49' ' ' THR . 60.1 tt0 -88.45 -43.79 11.2 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.122 0.487 . . . . 0.0 109.963 176.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -169.89 99.11 0.3 Allowed 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.085 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.87 88.02 34.78 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-O 120.917 0.389 . . . . 0.0 111.793 -177.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -63.51 -31.63 71.17 Favored 'Trans proline' 0 N--CA 1.479 0.655 0 C-N-CA 123.311 2.674 . . . . 0.0 113.858 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -91.64 7.58 40.86 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -174.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -129.55 147.54 51.36 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -60.89 104.7 0.38 Allowed 'General case' 0 C--O 1.232 0.149 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 173.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.619 ' NH1' ' HG2' ' A' ' 43' ' ' GLU . 56.3 mtt180 -64.44 -44.19 91.94 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.694 -173.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 16.5 tt -68.66 121.11 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.336 0 CA-C-O 121.453 0.644 . . . . 0.0 110.129 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.8 m -61.55 -37.23 83.03 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.974 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.515 ' HD3' ' HB3' ' A' ' 76' ' ' LYS . 47.5 ttt85 -85.9 136.46 33.28 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.397 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.07 152.72 38.59 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.927 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.3 p80 -113.63 152.14 30.79 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.586 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.08 -63.98 1.76 Allowed Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.691 -0.766 . . . . 0.0 111.724 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 -161.62 -54.4 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.3 p -126.26 20.37 7.46 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -175.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 63.5 p-90 -136.26 147.66 47.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.013 0.435 . . . . 0.0 111.78 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.6 m -136.6 135.32 38.26 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.542 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.515 ' HB3' ' HD3' ' A' ' 68' ' ' ARG . 86.4 tttt -90.91 122.52 33.67 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 177.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.569 HD21 HG13 ' A' ' 36' ' ' ILE . 68.3 mt -105.57 108.06 19.38 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-O 121.055 0.455 . . . . 0.0 110.641 177.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.0 m -100.18 95.73 7.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.47 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 89.0 m-85 -76.99 -31.61 56.63 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.586 -176.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.66 10.51 7.11 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.634 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 79' ' ' TYR . 9.3 p30 -136.55 147.92 47.3 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 177.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -78.69 -23.27 45.72 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.554 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.8 m -59.33 -60.69 3.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.719 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 33.1 p -73.92 -16.48 61.1 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -59.54 -48.33 82.06 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-O 120.782 0.325 . . . . 0.0 110.458 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.87 -37.7 88.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.136 0.493 . . . . 0.0 111.155 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -66.71 -23.71 66.15 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.522 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.577 ' O ' ' HB3' ' A' ' 103' ' ' CYS . . . -78.68 -14.61 59.21 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -178.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 10.6 mp -75.49 -3.53 34.52 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 90' ' ' ARG . 10.8 ptp85 -43.01 120.27 1.75 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.434 0.635 . . . . 0.0 112.524 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.06 85.01 0.59 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -150.25 24.31 0.82 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.746 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 96.32 38.95 4.37 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.46 -0.876 . . . . 0.0 111.845 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.469 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 35.1 m -75.32 94.98 3.11 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 97.4 mt -82.91 121.52 36.08 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.593 -178.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -134.71 128.82 33.72 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 70.7 m 64.57 14.35 8.9 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 121.081 0.467 . . . . 0.0 111.097 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.5 -15.41 42.08 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 121.09 -0.576 . . . . 0.0 113.857 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.79 151.27 43.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 117.589 0.695 . . . . 0.0 111.332 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -81.66 110.04 16.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.851 0.358 . . . . 0.0 110.71 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 47.7 pt -85.47 164.38 2.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.105 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -150.09 156.35 26.69 Favored Glycine 0 N--CA 1.44 -1.052 0 C-N-CA 120.165 -1.017 . . . . 0.0 112.31 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.583 ' SG ' HG22 ' A' ' 15' ' ' VAL . 42.7 t -142.67 136.91 29.53 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 34.1 m -129.63 165.98 29.15 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.585 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.91 150.05 85.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 122.644 2.229 . . . . 0.0 111.235 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -61.89 126.39 27.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.432 0.634 . . . . 0.0 112.109 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -127.59 125.87 41.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.146 -0.933 . . . . 0.0 109.019 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -65.16 -36.04 82.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.165 0.507 . . . . 0.0 110.14 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -69.39 -35.53 75.88 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.146 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 62.2 tp -63.36 -42.51 98.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.751 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 47.6 mm -61.52 -46.71 96.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.058 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 8.5 p -63.6 -43.45 96.88 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.35 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -65.43 -40.34 93.21 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.773 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 86.7 mt -62.41 -42.65 99.59 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 120.918 0.389 . . . . 0.0 110.747 178.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 20.5 m -64.75 -43.21 94.08 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.787 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 112' ' ' SER . 99.5 mtt180 -66.84 -43.39 83.83 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.309 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.43 ' HG2' ' H ' ' A' ' 119' ' ' HIS . 41.7 tt0 -162.93 -68.95 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.257 0.551 . . . . 0.0 110.111 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 88.8 -8.74 78.72 Favored Glycine 0 C--N 1.301 -1.389 0 CA-C-N 115.221 -0.899 . . . . 0.0 113.842 176.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.43 ' H ' ' HG2' ' A' ' 117' ' ' GLU . 94.2 m-70 -89.64 68.11 7.58 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 122.273 -0.545 . . . . 0.0 111.771 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -135.49 117.64 15.46 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.024 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -103.97 -52.53 2.93 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.808 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 65.39 -62.42 0.22 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.59 0.756 . . . . 0.0 112.175 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -147.67 -34.49 0.24 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.577 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.132 179.559 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.2 ttp . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 120.793 0.33 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -133.2 126.15 30.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.783 0.325 . . . . 0.0 110.903 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.545 ' H ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -108.23 -1.71 19.96 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 178.573 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.28 141.57 3.2 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.843 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 p -85.07 164.88 17.94 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.805 0.336 . . . . 0.0 111.286 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -85.5 -19.56 31.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.329 0.585 . . . . 0.0 109.717 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.4 t 57.13 18.29 4.02 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.564 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 58.31 19.13 6.02 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.452 0.701 . . . . 0.0 110.784 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.456 ' HA ' ' HB3' ' A' ' 106' ' ' TYR . 17.4 m -73.81 -53.36 10.44 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.184 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.02 -113.77 2.1 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.689 -178.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -117.0 22.98 12.21 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 122.687 0.395 . . . . 0.0 110.847 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -108.78 144.58 36.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.07 0.462 . . . . 0.0 111.325 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.9 m -126.64 160.65 34.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.95 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -112.15 124.19 68.63 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.9 t -117.65 129.74 73.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -142.66 155.12 44.88 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -176.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.37 20.14 4.82 Favored Glycine 0 N--CA 1.444 -0.769 0 CA-C-N 115.688 -0.687 . . . . 0.0 113.098 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.578 ' HB2' HD11 ' A' ' 22' ' ' ILE . 42.6 p90 -143.32 165.04 28.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.151 0.475 . . . . 0.0 112.001 -178.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.56 ' O ' HG12 ' A' ' 22' ' ' ILE . 46.6 ttp180 -107.31 151.35 25.6 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.761 -175.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.598 ' HA ' HD22 ' A' ' 37' ' ' LEU . 10.0 tp10 -54.27 -32.64 56.71 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.855 0.862 . . . . 0.0 113.051 -175.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.74 -11.83 60.07 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 18' ' ' TYR . 5.2 pt -86.5 23.92 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 N-CA-C 113.129 0.788 . . . . 0.0 113.129 -174.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.552 HG21 ' O ' ' A' ' 39' ' ' ASP . 13.1 m -59.15 -44.04 92.07 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.759 0.314 . . . . 0.0 111.45 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HD3' ' N ' ' A' ' 24' ' ' LYS . 3.5 mppt? -61.84 -21.85 65.01 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 120.914 0.387 . . . . 0.0 111.34 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -93.02 -67.44 0.86 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.164 -178.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.454 ' CG1' HD12 ' A' ' 22' ' ' ILE . 8.7 mm -64.28 -43.91 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.539 ' HB3' ' O ' ' A' ' 23' ' ' THR . 8.3 tt -60.04 -29.73 68.71 Favored 'General case' 0 C--O 1.218 -0.599 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -42.76 99.44 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 120.784 0.326 . . . . 0.0 111.553 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -89.24 -44.53 10.2 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.876 0.37 . . . . 0.0 111.713 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.536 ' HD2' ' CE1' ' A' ' 33' ' ' PHE . 22.1 m-85 -77.63 -0.88 28.26 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.221 1.008 . . . . 0.0 113.542 -177.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -42.11 -13.01 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -61.34 -39.5 90.81 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.536 ' CE1' ' HD2' ' A' ' 30' ' ' PHE . 69.8 m-85 -65.74 -36.9 84.88 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.943 177.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.553 ' HA3' ' OG1' ' A' ' 52' ' ' THR . . . 110.26 -118.35 5.0 Favored Glycine 0 N--CA 1.429 -1.8 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.408 -176.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -90.28 98.31 11.7 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 120.919 0.39 . . . . 0.0 110.771 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.8 mm -67.61 -44.33 86.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.832 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.598 HD22 ' HA ' ' A' ' 20' ' ' GLU . 71.3 mt -128.03 161.62 28.75 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.654 -174.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -81.73 -19.6 41.1 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.545 0.688 . . . . 0.0 110.068 -178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.552 ' O ' HG21 ' A' ' 23' ' ' THR . 12.4 t70 -69.52 143.69 53.37 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tt -129.81 -81.18 0.55 Allowed 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.088 -0.645 . . . . 0.0 110.784 -177.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 64.88 -63.63 0.18 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.631 0.772 . . . . 0.0 111.566 -177.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.1 t -147.28 135.96 21.98 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -124.2 -144.47 0.33 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 mp -83.22 140.01 32.79 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.02 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -75.89 -34.42 48.0 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -130.22 -161.27 1.11 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 m 61.05 34.89 19.04 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 121.688 0.756 . . . . 0.0 110.702 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.67 -33.78 73.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.504 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.5 p -65.81 -26.58 67.74 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.101 -0.954 . . . . 0.0 113.376 -176.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 64.4 ttp -100.9 89.26 3.79 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.605 -178.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 38.2 mmm-85 -144.72 173.66 11.65 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.553 ' OG1' ' HA3' ' A' ' 34' ' ' GLY . 15.4 m -56.92 122.2 50.97 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 177.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.93 116.57 3.32 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 123.008 2.472 . . . . 0.0 113.11 -175.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.61 -1.79 58.56 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.455 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -123.88 103.96 8.65 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 117.22 0.51 . . . . 0.0 112.315 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -112.1 18.15 18.96 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.3 p90 44.5 -178.26 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 176.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -136.56 149.74 48.24 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 115.089 -0.959 . . . . 0.0 108.734 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -103.23 95.31 6.02 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.138 0.494 . . . . 0.0 110.525 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.694 ' O ' ' HD2' ' A' ' 63' ' ' ARG . . . -153.61 153.06 28.49 Favored Pre-proline 0 C--O 1.212 -0.874 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.66 -31.92 93.2 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.419 2.08 . . . . 0.0 113.179 -178.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -101.38 33.8 2.79 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.96 0.41 . . . . 0.0 111.758 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.694 ' HD2' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -87.36 109.18 19.37 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -175.074 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.77 89.27 7.42 Favored 'General case' 0 N--CA 1.432 -1.332 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 169.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -72.63 -43.6 63.04 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.14 -174.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.518 HG12 ' H ' ' A' ' 68' ' ' ARG . 19.4 tt -93.96 121.57 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-O 121.888 0.851 . . . . 0.0 111.524 -176.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.1 m -91.98 5.54 49.73 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.438 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.518 ' H ' HG12 ' A' ' 66' ' ' ILE . 14.6 mmm180 -99.89 140.07 34.64 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.46 -179.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -75.27 145.27 42.01 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.976 0.417 . . . . 0.0 111.575 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.5 p-80 -150.94 162.57 40.55 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.918 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -116.29 -150.64 9.51 Favored Glycine 0 N--CA 1.437 -1.283 0 C-N-CA 120.893 -0.67 . . . . 0.0 113.085 -177.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -62.73 -49.42 75.13 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -177.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.0 p -135.45 12.42 3.5 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.787 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -129.69 142.3 50.75 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.965 -178.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.439 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 89.4 m -133.27 133.15 42.25 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.847 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -95.57 105.04 16.97 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 88.5 mt -100.74 127.35 47.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.593 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 18.1 m -113.14 121.68 45.26 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.728 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.501 ' HE2' ' HB2' ' A' ' 88' ' ' ALA . 21.0 m-85 -87.01 -28.37 22.67 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 117.009 -0.087 . . . . 0.0 111.232 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 79' ' ' TYR . . . 80.9 -1.31 1.81 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.844 0.858 . . . . 0.0 111.76 -177.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -128.76 138.05 51.89 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 120.661 0.267 . . . . 0.0 110.56 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.451 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 16.1 t60 -67.22 -37.41 83.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.029 -178.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m -61.06 -44.81 96.82 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.103 0.478 . . . . 0.0 109.864 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -67.7 -33.87 75.77 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.257 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.451 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 30.9 t80 -57.88 -48.19 80.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.168 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.4 tp -66.29 -31.93 73.03 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-O 121.086 0.469 . . . . 0.0 111.345 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -79.8 -9.83 59.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.177 0.513 . . . . 0.0 111.265 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.501 ' HB2' ' HE2' ' A' ' 79' ' ' TYR . . . -91.19 -10.21 42.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.597 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 35.2 tp -58.43 -43.68 88.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.462 -174.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 26.6 mmm180 47.44 -137.45 0.79 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.819 0.448 . . . . 0.0 111.886 176.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 62.18 26.85 16.14 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 123.94 0.896 . . . . 0.0 111.729 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -112.4 80.78 1.38 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.993 176.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 67.38 29.89 74.69 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.679 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.4 m -85.49 89.11 7.61 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.131 0.491 . . . . 0.0 110.953 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.9 mt -108.19 128.11 63.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.137 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -132.4 133.22 43.65 Favored 'General case' 0 N--CA 1.437 -1.098 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.367 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 22.0 t 63.44 13.55 7.23 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.004 0.521 . . . . 0.0 111.63 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.15 10.07 55.01 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.307 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.76 148.41 47.23 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.989 0.394 . . . . 0.0 110.722 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -90.46 125.85 35.71 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.174 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 49.5 pt -91.86 145.85 7.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.028 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.33 129.46 9.9 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.183 -1.008 . . . . 0.0 112.023 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 56.2 m -130.86 111.8 12.43 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.5 m -139.75 164.81 35.51 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.683 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -68.53 157.49 61.62 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.36 2.04 . . . . 0.0 110.17 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.456 ' HB3' ' HA ' ' A' ' 9' ' ' THR . 52.5 t80 -59.76 117.01 4.48 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.901 0.381 . . . . 0.0 111.044 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.472 ' O ' HD13 ' A' ' 111' ' ' ILE . 2.1 mptm? -116.05 135.72 53.69 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 174.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -64.09 -40.5 96.36 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.129 0.49 . . . . 0.0 110.463 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.53 -39.98 92.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.286 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.468 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 59.5 tp -61.93 -46.86 87.48 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 110.658 -179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.472 HD13 ' O ' ' A' ' 107' ' ' LYS . 1.7 mp -62.87 -40.73 89.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.542 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.485 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 6.7 t -58.56 -47.54 83.87 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.068 178.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -66.88 -39.76 87.61 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.141 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 92.6 mt -62.64 -38.92 92.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.999 0.428 . . . . 0.0 110.765 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.3 t -65.19 -40.56 94.41 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.908 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 112' ' ' SER . 21.1 mmm180 -66.44 -53.08 39.56 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.701 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 117' ' ' GLU . 42.0 tt0 50.06 38.95 17.98 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 123.807 0.843 . . . . 0.0 110.971 -177.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 99.26 -45.14 1.59 Allowed Glycine 0 N--CA 1.441 -0.971 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.453 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 10.8 t60 56.33 28.47 13.47 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.778 0.799 . . . . 0.0 110.003 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -82.4 32.56 0.4 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.515 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 62.31 -101.54 0.1 Allowed 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.536 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -178.7 164.43 1.57 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -65.77 -32.91 74.71 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.97 0.414 . . . . 0.0 111.039 177.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 . . . . . 0 C--N 1.317 -0.84 0 CA-C-O 118.233 -0.889 . . . . 0.0 109.467 177.774 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 tmm? . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 p -157.58 -21.01 0.09 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.36 -43.66 97.05 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.754 0.311 . . . . 0.0 111.415 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.07 163.62 39.86 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.135 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -82.47 -21.08 35.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.752 0.31 . . . . 0.0 110.617 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 52.05 56.3 7.97 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.474 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 p -106.6 69.8 0.79 Allowed 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.816 -178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -73.63 -45.49 52.6 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 121.807 0.813 . . . . 0.0 109.705 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 79.6 m -92.56 -69.21 0.76 Allowed 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 114.561 -1.199 . . . . 0.0 110.436 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.49 -97.42 0.24 Allowed Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.398 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -120.22 22.98 11.17 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.086 0.469 . . . . 0.0 111.258 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.25 144.2 27.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.211 177.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -132.87 160.36 42.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.882 0.372 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.4 t -106.15 117.76 52.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 176.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.534 ' HA ' ' O ' ' A' ' 102' ' ' GLY . 21.5 t -109.56 130.45 62.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -141.81 167.83 21.21 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.36 -7.95 12.36 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.455 ' HE2' HG12 ' A' ' 15' ' ' VAL . 36.2 p90 -128.35 167.96 16.22 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 120.637 0.256 . . . . 0.0 110.662 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.41 ' O ' HG13 ' A' ' 22' ' ' ILE . 33.2 ptt-85 -120.86 158.56 27.35 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.526 -177.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.475 ' HA ' HD22 ' A' ' 37' ' ' LEU . 34.1 tt0 -73.31 84.3 1.42 Allowed 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.05 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.418 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.414 ' H ' HG13 ' A' ' 22' ' ' ILE . 2.8 pp -89.79 27.35 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.524 178.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.9 m -43.6 -69.3 0.14 Allowed 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 124.404 1.082 . . . . 0.0 112.899 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.497 ' HG3' ' CD ' ' A' ' 43' ' ' GLU . 1.5 mptm? -61.48 -34.03 74.79 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -175.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -58.41 -68.66 0.23 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.998 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.6 tt -70.56 -27.1 29.98 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.784 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.526 HD11 ' NH2' ' A' ' 51' ' ' ARG . 40.5 tp -61.28 -37.43 83.13 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -178.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.14 -28.01 16.4 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -93.99 -47.52 6.67 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.481 ' CB ' HD11 ' A' ' 36' ' ' ILE . 69.2 m-85 -87.31 -8.5 56.64 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -173.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 51' ' ' ARG . . . -60.39 -25.79 66.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.617 0.246 . . . . 0.0 111.113 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -63.01 -31.86 73.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.993 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -88.95 -44.21 10.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.478 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.443 ' HA2' ' HB3' ' A' ' 51' ' ' ARG . . . 169.57 -178.71 42.46 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.093 -1.051 . . . . 0.0 113.243 178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.47 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 2.0 pm0 -75.19 150.77 38.59 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 122.944 0.498 . . . . 0.0 110.22 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.481 HD11 ' CB ' ' A' ' 30' ' ' PHE . 61.0 mt -120.67 -83.51 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -174.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 20' ' ' GLU . 2.4 mt -67.17 -75.21 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.347 -173.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.457 ' HA ' ' CG2' ' A' ' 66' ' ' ILE . 41.6 tt0 -175.89 39.83 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 106.215 -1.772 . . . . 0.0 106.215 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -59.57 136.64 58.04 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 114.024 -1.444 . . . . 0.0 112.965 -175.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.49 HD23 ' H ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -97.26 -20.84 17.62 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.621 -1.172 . . . . 0.0 111.2 -178.13 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -120.99 138.13 54.31 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.412 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . 65.8 p -71.16 -23.91 62.15 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -177.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.497 ' CD ' ' HG3' ' A' ' 24' ' ' LYS . 63.3 mm-40 68.25 2.89 3.44 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 123.53 0.518 . . . . 0.0 111.971 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.3 mt -115.39 -46.89 2.86 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-O 120.848 0.356 . . . . 0.0 111.196 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 82.16 -58.81 4.94 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -106.35 152.68 23.26 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 177.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.48 ' O ' HG22 ' A' ' 47' ' ' THR . 26.5 m 69.93 14.55 7.91 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-O 122.4 1.095 . . . . 0.0 110.197 -178.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.42 -23.93 67.46 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.382 179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 p -80.21 0.76 31.08 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.593 -0.73 . . . . 0.0 112.266 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 58.5 ttp -100.4 -1.29 36.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.092 0.472 . . . . 0.0 109.995 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.526 ' NH2' HD11 ' A' ' 27' ' ' LEU . 56.4 mtp180 -73.64 140.68 46.31 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.675 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.577 ' HB ' ' CD ' ' A' ' 53' ' ' PRO . 4.8 p 53.51 176.43 0.03 OUTLIER Pre-proline 0 CA--C 1.559 1.305 0 C-N-CA 123.919 0.888 . . . . 0.0 112.8 -179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.577 ' CD ' ' HB ' ' A' ' 52' ' ' THR . 16.6 Cg_exo -69.74 20.18 0.18 Allowed 'Trans proline' 0 C--N 1.364 1.344 0 C-N-CA 122.698 2.266 . . . . 0.0 113.615 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 52' ' ' THR . . . 119.82 42.28 0.53 Allowed Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.566 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -125.66 -178.48 4.27 Favored 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.06 153.87 48.12 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 42' ' ' SER . 54.9 p90 -76.85 4.05 10.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.601 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -46.66 103.5 0.04 OUTLIER 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.813 0.696 . . . . 0.0 111.361 -178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 63' ' ' ARG . 87.3 mm-40 -63.72 -45.94 87.68 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 115.088 -0.96 . . . . 0.0 111.16 -178.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.412 ' HB1' ' HD2' ' A' ' 61' ' ' PRO . . . 65.01 159.18 0.12 Allowed Pre-proline 0 C--N 1.315 -0.891 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.93 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 60' ' ' ALA . 62.6 Cg_endo -73.73 5.65 3.26 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 122.046 1.831 . . . . 0.0 112.771 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -144.7 89.43 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -157.68 135.93 11.03 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.14 -9.12 37.48 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-O 121.578 0.704 . . . . 0.0 109.51 175.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.0 ptt180 -171.05 170.34 6.23 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.603 -1.181 . . . . 0.0 109.749 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.54 HD11 ' NH1' ' A' ' 68' ' ' ARG . 40.9 pt -64.24 -43.13 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.096 0.474 . . . . 0.0 110.238 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.47 ' N ' HG13 ' A' ' 66' ' ' ILE . 35.9 t 174.63 -42.66 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.575 ' NH1' HG23 ' A' ' 75' ' ' THR . 1.9 ttp-105 -95.14 143.47 26.55 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.996 177.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.427 ' N ' ' HG2' ' A' ' 68' ' ' ARG . 42.2 tt0 -86.42 149.72 24.81 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 51.3 p-80 -146.24 132.5 19.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.336 177.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.15 -51.21 0.95 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.492 -178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -122.65 -143.1 0.33 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.798 0.333 . . . . 0.0 110.371 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.9 p -77.79 36.02 0.21 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -175.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.407 ' CG ' HD13 ' A' ' 114' ' ' LEU . 58.6 p-90 -128.56 136.62 50.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.06 0.457 . . . . 0.0 111.506 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.575 HG23 ' NH1' ' A' ' 68' ' ' ARG . 96.6 m -136.56 120.92 18.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.819 178.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.496 ' H ' ' HD2' ' A' ' 68' ' ' ARG . 40.0 ttpt -86.48 117.22 25.13 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 tt -106.78 123.79 48.66 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -177.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.4 m -95.4 96.34 9.05 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.411 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.544 ' HB3' ' ND2' ' A' ' 81' ' ' ASN . 70.3 m-85 -70.21 -42.39 72.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.799 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.67 -44.72 0.59 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.502 0.721 . . . . 0.0 111.517 -177.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.613 ' ND2' ' HB2' ' A' ' 84' ' ' SER . 0.2 OUTLIER -74.27 126.6 31.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.075 0.464 . . . . 0.0 110.747 176.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.446 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 49.6 t-80 -66.73 -39.21 87.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.13 -176.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.5 t -60.03 -44.5 94.58 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 120.7 0.286 . . . . 0.0 111.46 -177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.613 ' HB2' ' ND2' ' A' ' 81' ' ' ASN . 21.3 m -78.47 -17.4 56.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.619 0.247 . . . . 0.0 110.876 -179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.446 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 82.2 t80 -61.18 -47.17 87.4 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.929 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.25 -39.32 92.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.267 0.556 . . . . 0.0 110.634 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -59.96 -29.74 68.62 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.868 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.24 -13.53 60.79 Favored 'General case' 0 C--O 1.218 -0.592 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.68 -2.7 37.37 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -62.27 36.17 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.355 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -81.49 75.6 8.44 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -137.07 -70.51 0.45 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.208 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -122.47 29.01 5.59 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.835 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.2 m -92.69 93.87 8.71 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.161 0.505 . . . . 0.0 110.913 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.6 mt -113.37 127.17 70.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.104 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -132.01 135.84 46.82 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 30.7 t 64.17 16.88 10.34 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.313 0.578 . . . . 0.0 110.99 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.27 6.86 64.29 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.913 -0.66 . . . . 0.0 113.365 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.71 146.27 52.15 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.811 0.305 . . . . 0.0 110.931 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -87.5 124.82 33.86 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.8 pt -84.99 132.45 31.66 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-O 121.102 0.477 . . . . 0.0 110.498 -179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.534 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -99.44 146.0 17.79 Favored Glycine 0 N--CA 1.441 -1.032 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.848 -178.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 65.5 m -143.33 111.57 6.21 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.905 0.383 . . . . 0.0 110.329 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.9 m -119.63 153.63 54.35 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.495 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.3 45.92 1.49 Allowed 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 123.242 2.628 . . . . 0.0 112.697 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 63.9 t80 58.7 111.72 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.202 1.001 . . . . 0.0 112.579 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.437 ' O ' HG12 ' A' ' 111' ' ' ILE . 99.6 mttt -123.87 129.91 51.75 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.849 178.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -65.07 -33.73 76.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.286 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -66.18 -38.97 89.32 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.328 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 57.2 tp -61.82 -42.01 98.49 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.869 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 107' ' ' LYS . 44.3 mm -62.45 -43.04 97.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.942 179.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.4 m -61.57 -44.99 96.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -64.96 -42.66 94.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.777 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 94.9 mt -63.48 -43.36 97.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.908 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.2 p -69.81 -37.51 76.28 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -65.77 -40.53 92.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 46.82 25.13 0.41 Allowed 'General case' 0 N--CA 1.492 1.647 0 C-N-CA 124.706 1.203 . . . . 0.0 113.175 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -159.19 138.73 5.8 Favored Glycine 0 N--CA 1.425 -2.036 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -132.0 150.22 52.21 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 120.696 0.284 . . . . 0.0 110.237 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -92.99 102.79 15.14 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.974 0.416 . . . . 0.0 111.009 -177.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -136.31 25.16 3.22 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.698 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -65.59 -66.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.897 -175.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -165.85 142.85 5.4 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 52.7 t60 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.755 -0.641 . . . . 0.0 109.981 178.473 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.0 mmm . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -91.72 122.46 34.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.012 0.434 . . . . 0.0 110.822 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.9 tp -64.86 -40.48 95.21 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.024 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.34 130.12 46.3 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 121.051 -0.595 . . . . 0.0 113.132 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 p -86.56 167.68 14.37 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.795 0.331 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -92.56 7.91 41.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.284 0.564 . . . . 0.0 110.363 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.6 t -130.67 96.95 4.23 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -106.14 2.77 27.31 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.939 -178.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 84.8 m 71.74 -58.99 0.57 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.89 0.876 . . . . 0.0 112.285 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.48 -142.11 34.86 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 121.227 -0.511 . . . . 0.0 112.382 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -102.55 12.03 37.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.402 0.62 . . . . 0.0 109.525 -179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.32 140.34 30.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.314 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.8 m -125.57 159.25 33.51 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.7 t -114.98 124.32 71.53 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.3 t -110.99 125.11 68.3 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -134.73 165.92 24.15 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 120.804 0.335 . . . . 0.0 111.548 -177.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.97 -6.56 10.25 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.181 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -132.11 -176.84 4.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.958 0.409 . . . . 0.0 111.145 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.88 163.82 30.5 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.658 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.476 ' HG2' HD23 ' A' ' 37' ' ' LEU . 1.5 tm-20 -74.28 89.81 2.08 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.35 0.595 . . . . 0.0 109.811 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -177.07 -32.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.269 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.407 HD13 HD12 ' A' ' 26' ' ' ILE . 2.9 pp -86.66 19.91 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.721 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.421 HG21 ' O ' ' A' ' 39' ' ' ASP . 22.0 m -51.49 -49.42 61.89 Favored 'General case' 0 C--O 1.206 -1.213 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -173.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -56.77 -35.43 68.65 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 -175.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -75.95 -68.73 0.55 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.407 HD12 HD13 ' A' ' 22' ' ' ILE . 25.2 mt -64.87 -30.0 49.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -175.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 23' ' ' THR . 44.7 tp -59.86 -44.47 94.12 Favored 'General case' 0 C--O 1.205 -1.248 0 C-N-CA 121.249 -0.18 . . . . 0.0 110.692 179.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.69 84.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.943 0.401 . . . . 0.0 110.843 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -63.46 -48.21 78.62 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.08 -178.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -94.2 -7.92 40.83 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.691 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -65.18 -4.26 4.84 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 121.043 0.449 . . . . 0.0 111.523 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -58.86 -35.7 73.38 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.085 177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.448 ' HA ' ' O ' ' A' ' 50' ' ' MET . 2.4 p90 -135.47 9.62 3.42 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.429 -177.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.691 ' O ' ' HA ' ' A' ' 31' ' ' ALA . . . -172.84 -162.32 24.75 Favored Glycine 0 C--O 1.224 -0.501 0 C-N-CA 119.957 -1.116 . . . . 0.0 112.861 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -142.82 147.06 34.83 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.403 ' H ' ' CD1' ' A' ' 27' ' ' LEU . 13.1 mt -138.02 153.46 27.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.699 0.285 . . . . 0.0 111.324 -176.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.476 HD23 ' HG2' ' A' ' 20' ' ' GLU . 2.1 mp 68.76 -176.1 0.2 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.626 0.77 . . . . 0.0 111.737 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -118.77 32.47 6.12 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.421 ' O ' HG21 ' A' ' 23' ' ' THR . 22.6 t70 -143.56 141.67 30.78 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.8 mt -133.1 -77.73 0.49 Allowed 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.454 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 68.72 -66.34 0.25 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.128 0.971 . . . . 0.0 111.359 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.1 m -154.16 89.51 1.29 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.559 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 1.1 mp0 -79.37 -73.88 0.32 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.085 0.469 . . . . 0.0 110.188 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.476 HD13 ' O ' ' A' ' 46' ' ' ASP . 1.1 pp -154.72 161.03 41.7 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.748 179.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.94 4.22 22.55 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.147 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' O ' HD13 ' A' ' 44' ' ' LEU . 34.6 t70 -132.48 158.54 41.82 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.453 HG23 ' OD2' ' A' ' 46' ' ' ASP . 81.3 p 57.81 18.6 5.01 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 123.55 0.74 . . . . 0.0 112.645 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -83.7 -7.76 59.41 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.024 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.405 ' HA ' ' CD1' ' A' ' 56' ' ' PHE . 47.5 p -84.57 -6.95 59.4 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -177.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.448 ' O ' ' HA ' ' A' ' 33' ' ' PHE . 91.6 mmm -102.99 13.24 34.79 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.126 0.788 . . . . 0.0 113.126 -177.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.482 ' HB2' ' HA ' ' A' ' 56' ' ' PHE . 97.0 mtt180 -75.48 123.56 25.65 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.009 -0.676 . . . . 0.0 110.519 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.507 ' HB ' ' CD ' ' A' ' 53' ' ' PRO . 7.3 p 57.16 175.63 0.04 OUTLIER Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 124.157 0.983 . . . . 0.0 112.053 177.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.507 ' CD ' ' HB ' ' A' ' 52' ' ' THR . 3.8 Cg_exo -76.35 26.07 0.42 Allowed 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 122.581 2.188 . . . . 0.0 114.036 179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.95 -23.09 0.39 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 119.134 -1.508 . . . . 0.0 115.334 178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -106.66 110.19 22.31 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 117.789 0.795 . . . . 0.0 111.44 -178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.482 ' HA ' ' HB2' ' A' ' 51' ' ' ARG . 29.3 m-85 -65.1 -72.28 0.16 Allowed 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.52 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -170.91 129.89 0.78 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.819 176.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -104.0 121.96 44.23 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.002 0.43 . . . . 0.0 110.958 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -98.11 14.4 27.71 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.3 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.41 ' HB1' ' HD2' ' A' ' 61' ' ' PRO . . . -58.36 159.2 12.29 Favored Pre-proline 0 CA--C 1.537 0.468 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.294 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.41 ' HD2' ' HB1' ' A' ' 60' ' ' ALA . 30.9 Cg_endo -64.41 -21.19 66.62 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 122.689 2.259 . . . . 0.0 113.61 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -126.16 89.47 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.169 0.509 . . . . 0.0 110.654 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.666 ' O ' ' HD2' ' A' ' 63' ' ' ARG . 4.1 ppt_? -159.72 147.29 16.89 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.933 178.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.512 ' HA ' ' NE ' ' A' ' 64' ' ' ARG . 5.2 mmp_? -113.84 22.77 13.67 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.32 178.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.0 mtt85 51.74 -94.57 0.03 OUTLIER 'General case' 0 C--N 1.345 0.405 0 C-N-CA 124.125 0.97 . . . . 0.0 111.926 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.3 tt -63.73 -42.2 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.515 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.9 t 57.62 26.55 13.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.763 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -125.87 153.55 43.99 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.185 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 45.7 tt0 -74.74 139.57 43.49 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.286 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 29.3 p-80 -144.34 164.85 29.58 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.304 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -109.06 -138.14 8.19 Favored Glycine 0 N--CA 1.438 -1.224 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -101.51 -46.45 4.98 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 120.907 0.384 . . . . 0.0 111.302 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 p -112.13 2.85 16.92 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.611 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -138.33 145.77 41.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.843 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 91.0 m -127.82 126.79 42.33 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.444 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 69' ' ' GLU . 37.9 ttpt -97.49 108.83 21.63 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 176.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 pp -126.77 140.18 52.57 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.433 0.635 . . . . 0.0 112.061 -176.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.532 HG22 ' H ' ' A' ' 80' ' ' ALA . 33.2 m -112.43 125.38 54.16 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.341 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -87.98 -7.42 57.12 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.682 0.277 . . . . 0.0 110.804 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.532 ' H ' HG22 ' A' ' 78' ' ' THR . . . 65.03 14.88 9.66 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.203 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.6 p30 -145.55 163.92 33.25 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.187 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -93.9 -20.38 20.09 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 120.74 0.305 . . . . 0.0 110.986 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.4 m -60.64 -45.71 93.05 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.322 -178.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.3 t -87.02 -16.49 35.52 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.644 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -60.38 -52.47 65.1 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.597 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.7 -40.26 72.99 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.074 0.464 . . . . 0.0 111.883 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -63.49 -38.39 90.95 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.675 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.94 -19.99 65.82 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.2 mt -70.08 -5.12 24.63 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -51.5 127.66 20.72 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -126.23 -119.97 0.26 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.492 -0.776 . . . . 0.0 108.965 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 54.66 -96.47 0.06 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.381 0.672 . . . . 0.0 112.756 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -99.81 8.12 59.54 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 121.238 -0.506 . . . . 0.0 112.62 -177.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.4 m -74.91 85.44 2.24 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.607 0.717 . . . . 0.0 109.787 178.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.7 mt -113.65 124.29 70.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.978 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.001 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -126.84 134.9 50.43 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 35.4 t 62.77 19.85 11.73 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.24 0.543 . . . . 0.0 110.832 179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.28 14.2 64.49 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.114 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.87 146.87 38.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.969 0.385 . . . . 0.0 110.661 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.17 138.98 50.03 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 57.3 mt -84.49 128.28 39.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.77 99.6 2.09 Favored Glycine 0 N--CA 1.433 -1.513 0 C-N-CA 120.261 -0.971 . . . . 0.0 112.352 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 58.9 m -111.43 110.08 20.36 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.7 m -136.75 158.49 72.97 Favored Pre-proline 0 C--N 1.315 -0.916 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.024 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.85 152.93 76.17 Favored 'Trans proline' 0 C--O 1.237 0.449 0 C-N-CA 122.358 2.039 . . . . 0.0 111.06 176.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -56.72 127.65 32.56 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 121.131 0.491 . . . . 0.0 111.612 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -133.63 137.96 45.68 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -67.92 -40.9 83.3 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.079 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' ' 113' ' ' GLU . 43.2 tt0 -66.47 -35.27 79.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.759 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.85 -42.55 93.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.834 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.5 mm -61.43 -47.28 94.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.646 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.445 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 9.0 p -65.1 -39.33 92.98 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.617 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 60.8 mm-40 -63.14 -50.14 71.62 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 120.896 0.379 . . . . 0.0 110.978 -177.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.46 -37.21 86.75 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 56.6 m -64.88 -14.66 60.35 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' A' ' 112' ' ' SER . 60.4 mtt180 -91.62 -0.31 57.57 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.131 -0.228 . . . . 0.0 110.519 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 63.97 20.35 12.16 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.342 0.657 . . . . 0.0 111.555 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 129.42 112.69 1.6 Allowed Glycine 0 N--CA 1.433 -1.559 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -178.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -87.35 85.09 7.13 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-O 120.998 0.428 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.447 ' CG ' ' H ' ' A' ' 121' ' ' HIS . 18.4 t-80 49.84 -131.58 1.87 Allowed 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.134 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.447 ' H ' ' CG ' ' A' ' 120' ' ' HIS . 64.9 m80 -147.53 163.46 36.5 Favored 'General case' 0 CA--C 1.51 -0.56 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -88.43 88.25 7.56 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-O 121.049 0.452 . . . . 0.0 110.38 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.418 ' CE1' ' HB2' ' A' ' 121' ' ' HIS . 54.0 m80 -98.21 78.1 2.45 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 176.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.671 -178.215 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 120.426 0.155 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 t -152.22 135.43 15.82 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.741 0.305 . . . . 0.0 111.045 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -116.51 144.78 43.92 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.39 132.51 11.14 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.748 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.8 m -78.14 144.93 36.0 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 177.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -81.43 -13.02 58.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.523 0.678 . . . . 0.0 110.036 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.8 m -134.96 93.46 3.01 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.91 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -73.82 -7.01 50.55 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.314 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.7 m 72.78 -39.1 0.44 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.254 1.022 . . . . 0.0 112.286 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.34 17.59 4.01 Favored Glycine 0 C--O 1.223 -0.563 0 C-N-CA 121.183 -0.532 . . . . 0.0 112.271 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -96.83 4.5 51.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.488 0.661 . . . . 0.0 109.317 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.19 145.16 38.99 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.764 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.2 m -118.42 155.21 20.51 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.54 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 67.8 t -115.2 126.76 72.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.3 t -115.13 132.24 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.117 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -141.38 164.96 28.82 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.007 -178.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.16 -10.06 9.47 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.86 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -121.03 -173.27 2.57 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.478 0.18 . . . . 0.0 111.069 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.699 ' O ' HG13 ' A' ' 22' ' ' ILE . 43.0 ttp180 -137.34 169.32 17.98 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.33 -177.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HA ' HD22 ' A' ' 37' ' ' LEU . 34.1 tt0 -58.68 -29.34 66.54 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.122 0.569 . . . . 0.0 112.385 -177.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.41 -14.0 61.52 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.699 HG13 ' O ' ' A' ' 19' ' ' ARG . 2.6 pp -107.33 13.82 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -177.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.559 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 92.7 m -50.64 -46.31 58.27 Favored 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -176.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -54.07 -36.29 62.98 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 123.381 0.426 . . . . 0.0 111.669 -176.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -71.5 -57.18 4.66 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.3 mm -68.03 -22.43 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 121.572 0.701 . . . . 0.0 110.644 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.585 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 34.2 tp -60.33 -41.73 94.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.675 -179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.75 -34.55 78.6 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -92.41 -72.36 0.6 Allowed 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -69.35 -37.68 77.76 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.784 ' HB2' HG12 ' A' ' 36' ' ' ILE . . . -79.68 -3.74 48.66 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -59.87 -30.84 69.26 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.239 0.543 . . . . 0.0 109.979 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -116.48 7.25 13.71 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.175 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.79 -138.87 2.5 Favored Glycine 0 C--O 1.224 -0.478 0 C-N-CA 119.639 -1.267 . . . . 0.0 113.91 -176.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.582 ' OE2' ' HA ' ' A' ' 66' ' ' ILE . 44.1 tt0 -143.43 142.66 31.3 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 -177.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.784 HG12 ' HB2' ' A' ' 31' ' ' ALA . 8.7 mm -123.44 -80.37 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.382 -0.527 . . . . 0.0 111.392 -178.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 20' ' ' GLU . 4.2 mp -114.61 -175.65 2.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.985 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -95.22 -177.49 4.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.899 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.2 t70 70.38 83.36 0.15 Allowed 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 121.719 0.771 . . . . 0.0 109.402 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -104.91 -60.15 1.64 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.326 -0.852 . . . . 0.0 113.27 -171.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 54.62 -128.38 2.25 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -171.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 59.8 m -78.87 88.29 4.69 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 173.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.543 ' HB2' ' NH2' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -70.03 -58.25 4.05 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -172.322 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.508 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 95.5 mt -131.28 -51.19 1.01 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 120.965 0.412 . . . . 0.0 110.54 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.73 104.97 1.93 Allowed Glycine 0 N--CA 1.438 -1.175 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.591 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 76.54 -41.05 0.4 Allowed 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.784 0.834 . . . . 0.0 112.667 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.9 p -83.53 7.71 16.31 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.118 0.961 . . . . 0.0 110.855 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.64 -31.75 70.95 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.309 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.9 p -84.36 10.68 10.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.688 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 86.1 mtp -105.66 6.74 32.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.543 ' NH2' ' HB2' ' A' ' 43' ' ' GLU . 93.2 mtt-85 -82.76 107.5 15.43 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.861 -175.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.0 p 46.32 88.73 0.1 OUTLIER Pre-proline 0 N--CA 1.476 0.868 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.88 118.47 5.35 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.318 2.012 . . . . 0.0 111.888 179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.26 -36.43 3.06 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.655 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -131.61 93.55 3.35 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.07 0.462 . . . . 0.0 111.147 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -107.46 160.61 15.52 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.433 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -122.08 168.44 11.95 Favored 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.663 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -134.87 172.65 12.68 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' ' 60' ' ' ALA . 37.6 tt0 -88.25 -138.41 0.11 Allowed 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 178.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.528 ' HB1' ' HD2' ' A' ' 61' ' ' PRO . . . 71.36 164.35 0.14 Allowed Pre-proline 0 N--CA 1.475 0.817 0 C-N-CA 122.691 0.396 . . . . 0.0 110.749 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.528 ' HD2' ' HB1' ' A' ' 60' ' ' ALA . 25.0 Cg_endo -61.83 151.02 83.58 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 121.94 1.76 . . . . 0.0 111.92 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.2 m120 64.92 25.33 12.77 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.453 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.673 ' HG2' ' O ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -78.72 -22.98 45.78 Favored 'General case' 0 CA--C 1.486 -1.488 0 CA-C-O 121.118 0.485 . . . . 0.0 110.566 178.777 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.673 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 1.2 mmp_? 59.0 176.7 0.07 Allowed 'General case' 0 N--CA 1.428 -1.565 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.718 -173.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -121.96 146.08 47.49 Favored 'General case' 0 C--N 1.278 -2.525 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 174.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.608 HG12 ' H ' ' A' ' 68' ' ' ARG . 20.3 tt 53.53 122.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 124.559 1.144 . . . . 0.0 113.025 -175.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.9 m -76.24 -2.31 30.76 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.833 -175.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.608 ' H ' HG12 ' A' ' 66' ' ' ILE . 43.0 mtm-85 -126.1 155.67 41.24 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.944 -178.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -74.23 125.5 28.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.932 0.396 . . . . 0.0 110.142 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -123.1 166.99 14.25 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.985 -177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.4 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -100.26 -150.46 24.77 Favored Glycine 0 N--CA 1.439 -1.138 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 177.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.524 ' NH2' ' HB2' ' A' ' 117' ' ' GLU . 89.5 mtm-85 -89.61 -55.95 3.44 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.973 0.416 . . . . 0.0 111.632 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 p -112.12 11.55 20.4 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.44 -177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.4 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 67.9 p-90 -139.58 148.37 42.44 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.241 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 t -143.33 147.52 34.83 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.435 ' HE3' ' HB3' ' A' ' 68' ' ' ARG . 65.7 pttt -95.79 133.55 39.78 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.264 -0.575 . . . . 0.0 109.94 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.9 mt -104.9 116.25 31.67 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.278 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.8 m -110.68 111.48 22.7 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 177.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.457 ' HB3' ' OG ' ' A' ' 84' ' ' SER . 53.8 m-85 -101.06 -2.24 32.11 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -177.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 67.44 -55.47 0.47 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.546 0.738 . . . . 0.0 112.261 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -83.63 141.83 31.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.891 0.377 . . . . 0.0 110.454 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 85' ' ' TYR . 48.9 t60 -66.85 -34.09 77.04 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.672 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.2 p -60.84 -46.92 88.65 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.499 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.457 ' OG ' ' HB3' ' A' ' 79' ' ' TYR . 8.3 p -74.44 -32.34 62.59 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 177.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.427 ' HB3' ' HA ' ' A' ' 82' ' ' HIS . 45.5 t80 -59.39 -48.05 83.12 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.624 178.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 89' ' ' LEU . 51.2 tp -63.28 -39.06 93.53 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-O 120.747 0.308 . . . . 0.0 111.534 -177.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.519 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 77.9 mtt85 -68.39 -18.24 64.41 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.66 -12.58 60.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.833 0.349 . . . . 0.0 111.025 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 4.0 mm? -70.29 -3.94 19.59 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.55 0.74 . . . . 0.0 112.898 -178.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.519 ' HG2' ' O ' ' A' ' 87' ' ' ARG . 44.2 mmt180 -31.37 100.03 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.006 0.922 . . . . 0.0 113.469 -179.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -165.24 78.3 0.3 Allowed 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 176.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -128.42 37.46 4.13 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.62 23.42 50.44 Favored Glycine 0 N--CA 1.439 -1.107 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -175.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.509 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 25.0 m -65.29 106.13 1.28 Allowed 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.143 -0.529 . . . . 0.0 110.464 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 86.5 mt -93.09 120.63 42.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.157 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.438 ' HD1' ' HG ' ' A' ' 97' ' ' CYS . 11.3 t80 -142.54 135.27 28.14 Favored 'General case' 0 N--CA 1.438 -1.074 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.438 ' HG ' ' HD1' ' A' ' 96' ' ' TYR . 98.1 m 69.41 16.63 8.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.895 0.379 . . . . 0.0 111.511 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 103.33 -9.24 53.52 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.853 -0.689 . . . . 0.0 113.931 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -145.37 161.25 40.1 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.089 0.445 . . . . 0.0 110.696 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -74.98 132.17 41.18 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.154 177.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 41.5 pt -87.19 131.79 34.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 120.923 0.392 . . . . 0.0 110.456 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -99.66 124.4 8.22 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.67 -176.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 34.8 t -125.19 126.35 45.09 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 120.942 0.401 . . . . 0.0 110.814 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.411 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 19.7 m -141.66 158.12 63.59 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 177.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 22.1 Cg_endo -61.22 152.5 71.62 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.452 2.101 . . . . 0.0 111.568 178.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -58.78 117.83 5.04 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.217 0.532 . . . . 0.0 111.102 -177.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.554 ' O ' HG12 ' A' ' 111' ' ' ILE . 98.1 mttt -131.0 139.08 49.93 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.089 177.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -60.43 -41.02 93.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.779 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -63.59 -42.2 98.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.955 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.525 ' O ' HD13 ' A' ' 114' ' ' LEU . 34.7 tp -61.14 -45.35 95.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.238 0.542 . . . . 0.0 110.019 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 107' ' ' LYS . 47.0 mm -62.75 -43.33 98.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.57 -179.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.3 m -61.04 -46.55 90.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.873 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.9 -47.2 75.58 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.132 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 110' ' ' LEU . 10.9 mp -64.32 -41.87 96.61 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 179.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 59.3 m -63.78 -41.91 97.85 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.973 0.416 . . . . 0.0 111.317 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -71.54 -22.62 61.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.972 178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.524 ' HB2' ' NH2' ' A' ' 72' ' ' ARG . 0.7 OUTLIER 62.76 69.05 0.61 Allowed 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.822 -179.025 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -82.04 73.21 2.67 Favored Glycine 0 N--CA 1.438 -1.211 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.621 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -65.31 -42.99 92.46 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -178.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -73.47 -31.6 63.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.837 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -60.24 -51.78 68.09 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.163 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 177.24 110.83 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.477 0.486 . . . . 0.0 110.98 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -113.83 -37.77 4.43 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.186 0.517 . . . . 0.0 110.204 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.252 1.21 0 CA-C-O 118.56 -0.733 . . . . 0.0 109.464 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mmm . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -63.34 158.14 21.22 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.729 0.299 . . . . 0.0 111.072 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.13 131.67 47.15 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.618 -178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.58 -100.27 2.62 Favored Glycine 0 N--CA 1.438 -1.214 0 N-CA-C 111.311 -0.716 . . . . 0.0 111.311 -177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -132.91 150.05 52.19 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -87.55 70.41 9.8 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.9 t 71.71 85.93 0.12 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.062 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -70.62 -54.8 10.57 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.862 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.8 m 60.26 84.6 0.12 Allowed 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.381 -177.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.77 -90.52 0.74 Allowed Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.628 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -90.03 2.51 55.1 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -176.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.52 130.51 37.06 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.787 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -126.06 160.1 33.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.595 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.6 t -112.64 118.03 56.81 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.457 HG12 ' HE2' ' A' ' 18' ' ' TYR . 45.3 t -113.89 126.38 71.36 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -142.36 168.83 18.8 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.391 -177.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.58 -11.35 10.37 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.195 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.457 ' HE2' HG12 ' A' ' 15' ' ' VAL . 37.4 p90 -113.74 -172.38 2.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.438 0.161 . . . . 0.0 110.863 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.607 ' O ' HG13 ' A' ' 22' ' ' ILE . 23.0 ptt180 -135.72 173.67 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.896 0.379 . . . . 0.0 111.29 -176.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.5 -38.61 84.57 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.387 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.6 -14.06 48.02 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -174.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.607 HG13 ' O ' ' A' ' 19' ' ' ARG . 2.6 pp -97.29 27.32 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 122.108 -0.37 . . . . 0.0 111.46 -178.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.639 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 30.6 m -44.26 -71.45 0.08 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -176.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HE2' ' HB3' ' A' ' 40' ' ' LEU . 3.6 mptp? -60.13 -29.48 68.66 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -176.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.451 ' HB3' ' CE1' ' A' ' 96' ' ' TYR . 81.1 mt-30 -60.77 -71.36 0.14 Allowed 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -177.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.492 HG22 HG21 ' A' ' 36' ' ' ILE . 27.3 mt -68.89 -23.41 27.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.581 0 CA-C-O 120.92 0.39 . . . . 0.0 111.744 -179.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 23' ' ' THR . 25.9 tp -58.81 -46.49 87.49 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.289 -177.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.01 70.23 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.48 ' HD2' ' CD2' ' A' ' 30' ' ' PHE . 86.6 t80 -85.64 -48.27 9.04 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CD2' ' HD2' ' A' ' 29' ' ' TYR . 24.0 m-85 -85.8 -3.85 59.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -177.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -38.19 -29.32 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.732 1.213 . . . . 0.0 114.073 177.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -56.96 -30.18 63.85 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.084 0.468 . . . . 0.0 110.866 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.449 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 96.5 m-85 -88.85 -43.79 10.95 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.976 178.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.491 ' O ' HG12 ' A' ' 36' ' ' ILE . . . 114.42 -95.81 0.75 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.643 -0.789 . . . . 0.0 114.102 175.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.549 ' O ' HD22 ' A' ' 77' ' ' LEU . 9.4 pt-20 -59.69 114.61 2.84 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-O 120.845 0.355 . . . . 0.0 111.607 -177.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.492 HG21 HG22 ' A' ' 26' ' ' ILE . 37.2 mm -134.4 -63.47 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 121.308 0.575 . . . . 0.0 110.543 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.528 ' CD1' ' HA ' ' A' ' 23' ' ' THR . 71.3 mt -132.33 -167.03 1.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.079 -177.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -59.78 -42.72 93.98 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.501 0.501 . . . . 0.0 111.551 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.479 ' OD1' HD21 ' A' ' 27' ' ' LEU . 21.9 t70 71.78 171.79 0.31 Allowed 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.623 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.478 ' HB3' ' HE2' ' A' ' 24' ' ' LYS . 40.8 tp -115.33 -79.52 0.59 Allowed 'General case' 0 N--CA 1.433 -1.314 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.586 -179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -150.64 -40.42 0.13 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.956 0.408 . . . . 0.0 110.974 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.0 t -121.1 154.22 36.43 Favored 'General case' 0 N--CA 1.422 -1.841 0 CA-C-O 121.312 0.577 . . . . 0.0 109.723 -177.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.478 ' HG3' ' HG ' ' A' ' 27' ' ' LEU . 43.6 tt0 -132.35 -57.92 0.95 Allowed 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.575 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.0 mt -105.15 -22.05 13.15 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.996 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.91 -33.36 5.79 Favored Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -143.44 158.65 43.47 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.4 t 50.11 23.34 1.11 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.093 0.957 . . . . 0.0 112.437 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -89.76 13.42 14.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.526 -178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.9 p -69.47 -32.97 72.2 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.072 0.463 . . . . 0.0 110.771 176.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 27.4 ttt -98.8 97.89 9.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.146 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.557 ' NH2' HD11 ' A' ' 27' ' ' LEU . 79.6 mtp180 -133.07 14.22 4.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.223 0.535 . . . . 0.0 110.016 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -155.89 163.3 25.21 Favored Pre-proline 0 C--N 1.311 -1.094 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.553 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -67.92 -16.24 45.11 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.458 2.105 . . . . 0.0 112.327 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -179.54 139.16 3.74 Favored Glycine 0 N--CA 1.417 -2.592 0 N-CA-C 110.071 -1.212 . . . . 0.0 110.071 -177.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 77.09 167.89 0.24 Allowed 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 124.165 0.986 . . . . 0.0 110.925 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -99.44 -179.76 4.32 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.212 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -95.04 141.37 28.76 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.435 ' HB2' HH21 ' A' ' 65' ' ' ARG . 97.7 mt-30 -111.73 116.93 31.54 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -64.29 -39.86 94.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.714 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.441 ' HB1' ' HD2' ' A' ' 61' ' ' PRO . . . 65.57 161.18 0.13 Allowed Pre-proline 0 CA--C 1.548 0.867 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.173 -179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.441 ' HD2' ' HB1' ' A' ' 60' ' ' ALA . 53.7 Cg_endo -70.78 91.32 0.61 Allowed 'Trans proline' 0 CA--C 1.536 0.602 0 C-N-CA 121.82 1.68 . . . . 0.0 112.411 178.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.0 t30 56.94 54.76 6.74 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.704 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -132.49 149.56 52.31 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.663 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -94.48 18.9 10.46 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.174 -177.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.435 HH21 ' HB2' ' A' ' 58' ' ' GLN . 0.7 OUTLIER -100.69 102.88 14.1 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.975 179.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.667 HG13 ' H ' ' A' ' 68' ' ' ARG . 29.1 pt -65.89 -45.49 91.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.131 179.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.552 ' HB2' ' O ' ' A' ' 66' ' ' ILE . 22.2 t 155.96 -35.47 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.536 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.667 ' H ' HG13 ' A' ' 66' ' ' ILE . 12.1 mmm180 -80.93 152.87 27.84 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 114.139 -1.391 . . . . 0.0 111.209 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -74.28 125.73 29.08 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.84 -176.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -152.38 168.27 25.99 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.767 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.46 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -99.71 -78.82 1.4 Allowed Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.193 -1.003 . . . . 0.0 112.147 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.505 HH21 ' CD ' ' A' ' 117' ' ' GLU . 29.9 ttp85 -169.8 -56.18 0.02 OUTLIER 'General case' 0 CA--C 1.495 -1.157 0 CA-C-O 121.603 0.716 . . . . 0.0 109.741 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.8 p -103.72 2.52 33.13 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.924 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.46 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 59.5 p-90 -142.11 144.18 33.39 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 114.414 -1.266 . . . . 0.0 108.891 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.5 m -126.29 126.85 44.65 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -84.96 108.25 17.49 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.549 HD22 ' O ' ' A' ' 35' ' ' GLU . 31.9 mt -92.77 116.57 29.14 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.064 -174.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 86.3 m -112.86 113.3 25.31 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.992 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -104.01 -15.52 15.58 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.08 -176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.06 6.07 5.43 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.233 0.613 . . . . 0.0 110.901 -176.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -127.32 142.89 51.33 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.723 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.51 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 69.6 t60 -87.78 -24.03 23.89 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.2 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.5 t -63.44 -41.49 98.66 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.061 0.457 . . . . 0.0 110.901 -179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.7 p -67.78 -20.05 65.16 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.574 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.51 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 57.9 t80 -60.0 -49.82 76.15 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.431 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.57 -41.32 88.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.109 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -63.75 -43.52 96.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.613 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.449 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . . . -81.34 -12.87 58.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.79 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 85' ' ' TYR . 27.4 tp -67.15 -8.13 28.72 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.106 0.562 . . . . 0.0 112.222 -175.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.522 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 32.4 ptt-85 -72.72 87.89 1.28 Allowed 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -176.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -83.57 -35.66 24.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.45 0.643 . . . . 0.0 110.048 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -83.0 127.41 33.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.449 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 95.45 -4.66 66.97 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.787 -0.721 . . . . 0.0 111.822 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 m -109.78 87.57 2.54 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-O 121.249 0.547 . . . . 0.0 110.547 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.5 mt -112.39 118.84 58.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.937 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.451 ' CE1' ' HB3' ' A' ' 25' ' ' GLN . 12.6 t80 -126.46 134.32 50.99 Favored 'General case' 0 N--CA 1.435 -1.193 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 7.8 t 62.13 25.46 15.25 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.222 0.534 . . . . 0.0 111.061 178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.51 19.12 66.94 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.172 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -142.91 149.41 38.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.848 0.356 . . . . 0.0 111.084 178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -96.44 126.41 41.61 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 46.1 pt -85.73 134.67 26.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-O 120.986 0.422 . . . . 0.0 110.22 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -99.21 110.96 4.11 Favored Glycine 0 N--CA 1.436 -1.332 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.51 -177.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 35.6 m -104.88 101.38 10.97 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.7 m -124.61 157.92 63.84 Favored Pre-proline 0 C--N 1.311 -1.095 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.927 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -61.8 153.2 69.51 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 122.431 2.088 . . . . 0.0 111.086 177.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -61.78 98.7 0.1 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.222 0.534 . . . . 0.0 111.379 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.475 ' O ' HG12 ' A' ' 111' ' ' ILE . 68.2 mttm -97.98 129.55 44.86 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.472 177.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -65.8 -42.42 90.74 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -68.97 -35.22 76.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.649 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 52.0 tp -61.91 -39.8 93.28 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.858 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 107' ' ' LYS . 36.7 mm -61.56 -43.83 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.928 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.945 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.3 m -59.81 -41.28 90.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.928 0.394 . . . . 0.0 110.256 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 42.7 mm-40 -62.26 -44.77 95.78 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 179.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 4.0 pp -88.83 -13.99 38.02 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 -176.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 66.4 m -82.72 -8.82 59.57 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 113' ' ' GLU . 16.7 ptt-85 -77.34 7.08 5.71 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 119.992 -0.683 . . . . 0.0 111.833 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.505 ' CD ' HH21 ' A' ' 72' ' ' ARG . 45.2 tt0 -80.72 82.51 6.7 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-O 121.663 0.744 . . . . 0.0 109.362 177.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 176.1 -136.3 3.23 Favored Glycine 0 C--N 1.296 -1.663 0 CA-C-N 114.834 -1.075 . . . . 0.0 111.634 178.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -134.39 140.64 46.44 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 120.857 0.361 . . . . 0.0 111.026 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -117.63 90.76 3.4 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.498 0.666 . . . . 0.0 109.956 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -135.19 8.56 3.45 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.352 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -87.8 130.58 34.81 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.053 0.454 . . . . 0.0 110.939 -178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -118.51 153.57 33.96 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.198 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 . . . . . 0 C--O 1.251 1.155 0 O-C-N 123.53 0.519 . . . . 0.0 110.593 -177.696 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.3 mtm . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m 51.79 68.42 0.81 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.706 0.629 . . . . 0.0 112.164 177.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.98 -40.1 87.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.679 178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.58 165.58 10.47 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.434 -0.667 . . . . 0.0 111.434 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -146.09 151.64 38.02 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-O 120.832 0.349 . . . . 0.0 110.128 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -90.08 11.74 19.87 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 121.082 0.468 . . . . 0.0 110.419 176.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 m -76.9 -3.3 37.94 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 122.266 1.031 . . . . 0.0 109.004 175.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.729 ' OE1' ' HA ' ' A' ' 107' ' ' LYS . 34.2 mm-40 -103.32 101.06 10.97 Favored 'General case' 0 N--CA 1.42 -1.936 0 CA-C-N 113.618 -1.628 . . . . 0.0 106.8 178.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.2 p -51.82 -45.66 64.02 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.7 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.92 -42.26 2.05 Favored Glycine 0 C--O 1.221 -0.666 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.274 177.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -63.23 -38.74 92.34 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.077 0.465 . . . . 0.0 110.716 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.3 143.98 30.91 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.648 177.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 76' ' ' LYS . 28.4 m -120.36 156.81 23.3 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-O 120.876 0.37 . . . . 0.0 110.794 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.4 t -110.23 118.0 56.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.8 t -110.19 128.63 66.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.998 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -143.77 168.82 19.02 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.871 -178.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.38 6.73 56.47 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.768 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.517 ' HB2' HD11 ' A' ' 22' ' ' ILE . 47.3 p90 -106.46 156.76 18.21 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.886 0.374 . . . . 0.0 110.264 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.8 ttm-85 -108.4 148.56 29.95 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.577 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -74.75 67.36 1.59 Allowed 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.691 0.757 . . . . 0.0 110.226 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.5 -36.09 0.13 Allowed 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.126 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.517 HD11 ' HB2' ' A' ' 18' ' ' TYR . 2.4 pp -82.86 30.2 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.204 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.721 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 55.9 m -46.71 -76.68 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -174.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -18.45 61.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.947 0.403 . . . . 0.0 111.269 -176.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.482 ' HB3' ' OH ' ' A' ' 96' ' ' TYR . 22.5 mp0 -63.62 -48.55 76.88 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.457 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.5 tt -96.49 -14.79 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-O 121.156 0.503 . . . . 0.0 110.86 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.721 ' HB2' ' O ' ' A' ' 23' ' ' THR . 11.4 tp -61.58 -41.88 98.06 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.755 -177.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.92 -12.74 60.43 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -94.78 -63.35 1.18 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 120.716 -0.394 . . . . 0.0 111.795 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -89.63 -35.78 15.65 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -175.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.849 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -65.57 -8.45 20.02 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -171.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -61.43 -25.52 67.26 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 120.653 0.263 . . . . 0.0 111.086 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -128.63 15.99 6.46 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.365 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.849 ' O ' ' HA ' ' A' ' 31' ' ' ALA . . . 171.26 125.88 0.84 Allowed Glycine 0 C--O 1.22 -0.755 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.625 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -59.73 141.9 54.24 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.089 0.404 . . . . 0.0 112.089 -178.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.8 mm -110.58 -60.06 3.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.574 178.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 23' ' ' THR . 5.8 mp -105.14 169.73 8.28 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.216 0.532 . . . . 0.0 111.796 -178.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.56 ' OE1' ' HA ' ' A' ' 64' ' ' ARG . 52.6 mt-10 -83.24 -22.63 33.05 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.807 -178.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.508 ' HB3' HG21 ' A' ' 23' ' ' THR . 32.8 t70 -82.76 145.68 29.41 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.594 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.4 tt -172.07 109.75 0.25 Allowed 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -178.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -128.77 -73.4 0.58 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.659 177.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 p -122.48 108.72 13.49 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.852 0.358 . . . . 0.0 110.572 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' CD ' ' H ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -126.93 -66.58 0.89 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.769 -179.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.425 ' H ' ' CD ' ' A' ' 43' ' ' GLU . 63.6 mt -99.72 -51.72 3.66 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 121.215 0.531 . . . . 0.0 110.479 -178.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.84 -16.85 54.05 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.955 -175.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -162.51 179.51 7.72 Favored 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 123.098 0.559 . . . . 0.0 109.963 178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.536 ' O ' HG22 ' A' ' 47' ' ' THR . 27.4 m 71.08 26.59 3.47 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 122.109 0.957 . . . . 0.0 111.256 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -67.64 -27.4 66.84 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.571 176.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 19.3 p -64.72 -30.68 71.7 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.325 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.2 ttp -108.06 86.8 2.36 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 176.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -142.14 -83.91 0.18 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.938 -177.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -118.44 141.83 30.37 Favored Pre-proline 0 C--N 1.291 -1.955 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.25 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -61.51 119.5 6.66 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.092 1.861 . . . . 0.0 110.962 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.59 59.84 5.84 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.693 -177.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -76.38 132.51 39.77 Favored 'General case' 0 N--CA 1.425 -1.681 0 CA-C-O 121.411 0.624 . . . . 0.0 110.915 -178.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -167.89 -70.56 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.756 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.1 p90 42.56 27.71 0.1 Allowed 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 70.39 -44.76 0.58 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.013 0.925 . . . . 0.0 112.019 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 62.6 31.54 16.81 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 121.913 0.863 . . . . 0.0 109.479 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.87 149.73 97.8 Favored Pre-proline 0 N--CA 1.447 -0.605 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.555 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.44 -29.19 83.64 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.599 2.2 . . . . 0.0 111.871 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 36.0 p30 -117.06 35.81 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.886 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.634 HH21 ' HA ' ' A' ' 66' ' ' ILE . 0.1 OUTLIER -62.28 137.83 58.32 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.188 0.518 . . . . 0.0 111.198 178.496 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.604 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 1.7 mmp_? -114.65 9.15 16.44 Favored 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.7 178.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.0 ptt180 -143.63 148.07 35.28 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.643 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.709 HG13 ' H ' ' A' ' 68' ' ' ARG . 7.7 pt -100.08 -157.93 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 177.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.417 ' N ' HG13 ' A' ' 66' ' ' ILE . 49.8 m -58.02 -19.6 32.42 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-O 121.156 0.503 . . . . 0.0 111.3 177.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.709 ' H ' HG13 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -136.4 157.03 47.77 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 178.724 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.21 153.21 39.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.642 0.258 . . . . 0.0 111.063 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.496 ' HB2' ' HA ' ' A' ' 75' ' ' THR . 51.6 p-80 -156.61 -177.88 6.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.016 -177.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -130.96 -159.1 9.47 Favored Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -76.04 128.73 35.63 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.934 0.397 . . . . 0.0 111.032 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.0 p 57.9 10.03 1.04 Allowed 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 55.6 p-90 -143.79 140.34 29.84 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 120.746 0.307 . . . . 0.0 110.672 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.496 ' HA ' ' HB2' ' A' ' 70' ' ' HIS . 12.0 t -142.5 147.75 36.54 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.015 0.436 . . . . 0.0 111.098 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 21.9 ptmt -109.48 118.59 37.02 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 176.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -126.14 148.29 49.43 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.31 0.576 . . . . 0.0 111.817 -176.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 97.2 m -111.67 117.67 33.53 Favored 'General case' 0 N--CA 1.434 -1.234 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.529 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -86.47 -16.93 35.56 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.359 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.44 -63.82 0.41 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.651 0.781 . . . . 0.0 111.243 -177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -73.61 136.19 43.9 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.159 0.504 . . . . 0.0 111.041 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.474 ' HA ' ' HB3' ' A' ' 85' ' ' TYR . 47.0 p-80 -68.66 -27.64 66.18 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.148 -178.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 m -60.65 -47.22 87.2 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.038 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -72.64 -35.01 67.67 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.362 0.601 . . . . 0.0 110.244 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.474 ' HB3' ' HA ' ' A' ' 82' ' ' HIS . 59.4 t80 -60.42 -52.38 65.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.494 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.5 tp -63.67 -36.77 84.94 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 121.13 0.491 . . . . 0.0 111.022 -176.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.92 -25.42 67.57 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.675 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.83 -11.66 59.56 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.198 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.99 -7.0 52.37 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -68.24 118.53 11.49 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.088 0.47 . . . . 0.0 110.938 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -141.87 4.42 1.68 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.201 -179.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -64.82 -45.85 84.46 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -144.19 26.42 2.02 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 119.963 -1.113 . . . . 0.0 112.991 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.3 m -89.61 97.92 11.47 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.408 0.623 . . . . 0.0 110.506 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.449 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 78.1 mt -114.25 127.61 71.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.125 179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.482 ' OH ' ' HB3' ' A' ' 25' ' ' GLN . 10.7 t80 -140.23 139.98 35.72 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -178.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.3 t 72.54 17.93 4.52 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.326 0.584 . . . . 0.0 110.59 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 94.1 0.06 66.14 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.898 -0.592 . . . . 0.0 113.516 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.406 ' C ' HG23 ' A' ' 95' ' ' ILE . . . -145.43 153.09 40.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.975 0.387 . . . . 0.0 111.133 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.449 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -69.94 137.77 51.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.006 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.4 pt -90.12 138.24 19.84 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.132 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.65 119.11 6.36 Favored Glycine 0 N--CA 1.434 -1.461 0 C-N-CA 120.307 -0.949 . . . . 0.0 111.438 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 49.7 t -130.74 117.76 19.88 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.9 m -140.89 158.65 64.64 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.774 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.44 149.47 90.75 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.223 1.949 . . . . 0.0 111.225 177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -53.68 126.75 23.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.731 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.729 ' HA ' ' OE1' ' A' ' 8' ' ' GLU . 68.2 mttm -129.79 127.1 39.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.622 177.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -61.09 -41.37 96.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.314 0.578 . . . . 0.0 110.197 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.77 -41.72 95.64 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.908 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.46 -42.05 99.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.52 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 107' ' ' LYS . 46.3 mm -61.97 -41.52 91.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.85 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.9 m -59.08 -43.41 91.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.293 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -65.62 -44.18 87.27 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.63 0.252 . . . . 0.0 110.735 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.31 -42.3 99.0 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.6 p -68.72 -40.5 79.9 Favored 'General case' 0 N--CA 1.444 -0.737 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.641 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -79.08 -23.28 44.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.87 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 14.2 tp10 68.8 8.73 6.96 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.464 0.706 . . . . 0.0 111.303 178.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 73.13 51.06 10.66 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.276 -0.964 . . . . 0.0 111.89 -178.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -58.96 -42.01 88.88 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.524 0.202 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -85.45 108.21 17.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.319 0.58 . . . . 0.0 109.743 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -149.49 146.37 27.37 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.286 -178.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -72.09 99.1 2.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.071 0.462 . . . . 0.0 110.7 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -171.14 119.64 0.5 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.379 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 10.0 p80 . . . . . 0 C--N 1.312 -1.023 0 CA-C-O 118.426 -0.797 . . . . 0.0 110.348 179.164 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tmt? . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 120.669 0.271 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.5 t -71.12 -26.52 63.06 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -177.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.87 -43.06 99.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.057 0.456 . . . . 0.0 109.897 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.93 88.21 0.1 Allowed Glycine 0 N--CA 1.436 -1.314 0 C-N-CA 120.067 -1.063 . . . . 0.0 112.702 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 m -71.56 135.84 47.2 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 177.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -102.6 72.02 1.22 Allowed 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 121.279 0.561 . . . . 0.0 110.218 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.6 m -84.58 7.0 21.58 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.815 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -91.98 6.7 45.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.784 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.0 m 71.85 -58.51 0.58 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.17 0.988 . . . . 0.0 111.358 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.79 -56.0 5.03 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 114.607 0.603 . . . . 0.0 114.607 176.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -87.97 9.0 23.73 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -175.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.65 138.41 53.94 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 76' ' ' LYS . 27.7 m -124.06 156.64 31.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 120.985 0.421 . . . . 0.0 110.966 -178.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.506 HG23 ' HA ' ' A' ' 106' ' ' TYR . 59.6 t -111.87 111.55 36.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.283 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 176.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.473 HG12 ' HE2' ' A' ' 18' ' ' TYR . 10.4 t -100.19 127.63 52.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -144.06 165.23 28.37 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.983 -178.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 120.09 -11.2 10.82 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.357 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.473 ' HE2' HG12 ' A' ' 15' ' ' VAL . 23.8 p90 -107.54 163.21 13.26 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 120.499 0.19 . . . . 0.0 111.219 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -85.07 -86.59 0.13 Allowed 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -175.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -165.16 -65.91 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 111.093 -174.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.33 8.13 2.41 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.79 -177.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.448 HG12 ' HB2' ' A' ' 18' ' ' TYR . 2.9 pp -84.5 1.87 4.27 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.555 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.408 HG21 ' O ' ' A' ' 39' ' ' ASP . 10.9 m -59.39 -45.89 90.22 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -51.85 -35.02 43.23 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.245 0.545 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.567 ' HB3' ' OH ' ' A' ' 96' ' ' TYR . 98.4 mt-30 -77.68 -62.18 1.75 Allowed 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.991 -178.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.0 tt -66.77 -27.33 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -175.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.98 -33.41 74.26 Favored 'General case' 0 C--O 1.203 -1.345 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.223 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.7 -36.92 58.1 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -176.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -89.92 -45.94 8.88 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -83.38 -7.06 59.63 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -173.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.16 -25.73 61.85 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 120.553 0.216 . . . . 0.0 111.431 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -62.05 -33.45 74.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.152 0.501 . . . . 0.0 110.259 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -76.7 -48.62 18.31 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.772 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.66 -139.84 6.78 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 119.862 -1.161 . . . . 0.0 113.97 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.438 ' OE1' ' HA ' ' A' ' 66' ' ' ILE . 13.7 pt-20 -86.74 148.92 25.22 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.898 0.879 . . . . 0.0 111.692 -176.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.3 mt -137.35 -76.09 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 120.786 0.327 . . . . 0.0 111.544 177.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mp -98.37 169.63 9.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.364 0.602 . . . . 0.0 112.337 -177.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -69.77 -36.59 75.88 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.63 -178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.408 ' O ' HG21 ' A' ' 23' ' ' THR . 32.9 t70 -80.45 110.46 15.93 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.691 -178.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.7 mt -126.58 -71.24 0.69 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.406 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 65.01 -70.39 0.09 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.501 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.8 m -123.75 113.3 18.41 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -91.07 -74.07 0.51 Allowed 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.732 -176.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.2 mt -126.93 -51.88 1.44 Allowed 'General case' 0 N--CA 1.445 -0.689 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.63 -50.16 3.48 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.296 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -77.85 -69.71 0.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.436 ' C ' ' H ' ' A' ' 49' ' ' THR . 16.2 m -79.59 -91.31 0.05 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 121.364 -0.134 . . . . 0.0 110.996 -179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 65.48 -37.08 0.24 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 123.868 0.867 . . . . 0.0 113.218 179.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.436 ' H ' ' C ' ' A' ' 47' ' ' THR . 28.8 p -77.86 -1.98 34.37 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 123.526 0.73 . . . . 0.0 112.331 -176.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.7 tpt -125.7 76.43 1.57 Allowed 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -150.09 168.2 24.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.406 -179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.445 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 32.9 p 58.94 159.93 0.1 OUTLIER Pre-proline 0 N--CA 1.482 1.165 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 175.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.445 ' HD2' ' HB ' ' A' ' 52' ' ' THR . 61.6 Cg_endo -81.69 93.4 0.96 Allowed 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 122.012 1.808 . . . . 0.0 113.157 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.9 -54.09 4.8 Favored Glycine 0 CA--C 1.523 0.575 0 CA-C-N 115.986 -0.552 . . . . 0.0 114.33 175.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -123.6 139.86 53.58 Favored 'General case' 0 CA--C 1.5 -0.971 0 CA-C-O 121.538 0.685 . . . . 0.0 112.274 -176.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -88.0 176.92 7.1 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 114.074 -1.421 . . . . 0.0 110.12 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -100.91 144.68 29.56 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.552 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -85.31 145.03 27.72 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.12 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -64.12 -30.54 71.6 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.373 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 72.64 142.9 0.09 OUTLIER Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 114.281 -1.327 . . . . 0.0 112.449 179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.37 -12.52 27.46 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.74 2.293 . . . . 0.0 111.638 178.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -107.63 -80.59 0.57 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.189 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -139.78 152.24 46.42 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 121.531 0.681 . . . . 0.0 112.115 178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.4 mtt180 -69.29 139.85 54.37 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.822 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -141.9 151.15 42.39 Favored 'General case' 0 C--N 1.307 -1.264 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.474 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.439 HG12 ' H ' ' A' ' 68' ' ' ARG . 4.5 tt -88.72 137.4 21.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.322 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.24 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 m -59.51 -38.47 81.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.111 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.439 ' H ' HG12 ' A' ' 66' ' ' ILE . 26.5 mmt180 -98.19 159.4 14.96 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.723 -179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -71.74 130.35 40.89 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.208 -176.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 40.0 p-80 -123.91 144.8 49.55 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.115 0.483 . . . . 0.0 111.494 -177.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.406 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -98.0 -163.58 31.09 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.644 178.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -78.48 -54.03 6.59 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.2 p -114.11 8.83 17.09 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-O 121.258 0.552 . . . . 0.0 111.504 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.406 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 65.0 p-90 -137.26 146.52 44.83 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.26 179.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 88.7 m -127.53 127.23 43.62 Favored 'General case' 0 C--N 1.298 -1.674 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.969 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 39.6 ttpt -91.01 116.77 29.06 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 90.0 mt -112.56 129.1 56.48 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 63.8 m -110.6 111.09 22.08 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -88.78 -23.36 22.9 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.54 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.88 -61.72 0.44 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.747 0.819 . . . . 0.0 111.227 -178.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -75.74 130.91 39.41 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.083 0.468 . . . . 0.0 110.205 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -77.47 -13.55 59.89 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.413 -177.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.7 m -59.1 -45.34 91.14 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.267 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 m -93.2 -14.46 27.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.07 0.462 . . . . 0.0 111.031 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -60.7 -47.52 85.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.668 -177.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.6 mp -63.33 -38.65 91.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -60.11 -43.59 95.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.357 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.72 -12.84 58.45 Favored 'General case' 0 C--O 1.222 -0.376 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.844 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.1 tp -67.06 -6.86 19.04 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.013 0.525 . . . . 0.0 112.398 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -66.36 105.97 1.59 Allowed 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.544 0.688 . . . . 0.0 112.186 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.07 7.42 18.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.662 177.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -123.47 142.85 50.59 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.953 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.02 32.37 83.96 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.333 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.5 m -135.96 91.93 2.75 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 121.237 0.541 . . . . 0.0 110.887 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.522 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 98.0 mt -113.47 125.74 70.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.939 179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.567 ' OH ' ' HB3' ' A' ' 25' ' ' GLN . 42.2 t80 -136.92 140.81 42.56 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.293 -179.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.6 t 70.42 -15.39 0.36 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.61 0.764 . . . . 0.0 112.388 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.07 -18.97 2.91 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.687 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.04 155.7 45.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.707 0.289 . . . . 0.0 110.949 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -73.79 134.66 43.43 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.166 177.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.7 pt -91.59 120.42 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.25 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.457 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -99.36 111.94 4.34 Favored Glycine 0 N--CA 1.431 -1.693 0 C-N-CA 120.409 -0.901 . . . . 0.0 112.169 -177.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 48.0 t -113.08 103.29 11.22 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.438 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 13.6 m -132.9 161.71 61.99 Favored Pre-proline 0 C--N 1.316 -0.871 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.306 -178.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.438 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 16.2 Cg_endo -58.8 151.83 61.49 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.218 1.945 . . . . 0.0 111.563 178.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.506 ' HA ' HG23 ' A' ' 14' ' ' VAL . 83.2 t80 -34.83 -67.26 0.15 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -174.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 63.24 124.56 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.718 0.77 . . . . 0.0 112.535 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -67.4 -44.26 79.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.815 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -69.37 -34.22 74.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.147 -178.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.438 ' O ' HD13 ' A' ' 114' ' ' LEU . 46.0 tp -61.06 -41.69 97.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.818 -177.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 35.8 mm -61.65 -43.57 97.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.1 m -60.94 -40.82 94.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.07 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -64.05 -43.06 96.68 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.272 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 110' ' ' LEU . 10.8 mp -74.42 -9.77 58.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.004 0.43 . . . . 0.0 111.817 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 53.0 m -86.21 2.21 47.88 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.655 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -62.6 -13.58 32.99 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.961 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -78.49 -4.92 50.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.433 0.635 . . . . 0.0 110.658 178.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -135.67 85.81 0.25 Allowed Glycine 0 N--CA 1.44 -1.098 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.765 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -74.76 154.57 38.3 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.949 0.404 . . . . 0.0 111.515 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -70.88 169.21 15.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.111 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -79.8 -55.54 4.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.763 -177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -153.86 153.57 32.34 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -177.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -62.0 -33.14 73.79 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.313 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 69.8 m80 . . . . . 0 C--O 1.254 1.316 0 CA-C-O 118.608 -0.71 . . . . 0.0 109.537 179.173 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t 66.45 93.25 0.07 Allowed 'General case' 0 C--O 1.232 0.162 0 O-C-N 123.788 0.68 . . . . 0.0 111.106 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.9 mt -87.58 -16.61 34.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.105 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.92 -63.22 3.53 Favored Glycine 0 C--O 1.238 0.368 0 CA-C-N 115.463 -0.79 . . . . 0.0 113.771 175.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m 70.51 162.67 0.24 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.472 0.709 . . . . 0.0 110.704 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -88.04 -39.96 14.23 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 62.3 m -167.72 100.29 0.48 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.476 -176.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -81.16 -4.76 56.44 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.279 0.562 . . . . 0.0 110.786 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.6 p -78.94 -19.38 51.9 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 114.869 -1.06 . . . . 0.0 110.316 178.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.62 -123.16 7.44 Favored Glycine 0 N--CA 1.43 -1.751 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.359 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -119.65 22.68 11.53 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.88 0.371 . . . . 0.0 110.793 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.91 131.88 34.2 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.087 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.96 162.43 37.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.564 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.4 t -116.25 119.58 62.33 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.394 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.509 HG12 ' HE2' ' A' ' 18' ' ' TYR . 21.3 t -104.88 128.36 58.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 177.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -136.69 165.9 24.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.202 -178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.81 -6.97 13.48 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.54 179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.556 ' HB2' HD11 ' A' ' 22' ' ' ILE . 32.1 p90 -115.1 175.49 5.48 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.043 0.449 . . . . 0.0 111.698 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -123.04 151.15 42.21 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.158 -177.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.612 ' HA ' HD21 ' A' ' 37' ' ' LEU . 40.3 tt0 -67.41 77.39 0.17 Allowed 'General case' 0 C--O 1.24 0.579 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.193 176.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -175.07 -30.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.929 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.628 HD12 ' HB ' ' A' ' 26' ' ' ILE . 5.4 pt -87.12 34.64 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.24 0.561 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.398 -178.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.645 HG21 ' HB2' ' A' ' 39' ' ' ASP . 6.4 m -59.48 -52.8 64.01 Favored 'General case' 0 C--O 1.213 -0.819 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -173.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -64.46 -34.98 79.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.852 0.358 . . . . 0.0 111.763 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -62.81 -68.87 0.3 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.091 -177.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.628 ' HB ' HD12 ' A' ' 22' ' ' ILE . 14.6 tt -69.87 -30.17 43.4 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.325 -174.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HG ' ' HB2' ' A' ' 31' ' ' ALA . 35.4 tp -64.08 -32.66 74.3 Favored 'General case' 0 C--O 1.203 -1.382 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.201 -178.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.95 -28.33 36.63 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.804 0.335 . . . . 0.0 111.301 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -93.43 -45.23 7.88 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 120.963 0.411 . . . . 0.0 111.85 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -89.08 -7.44 55.82 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -173.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.445 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . . . -59.34 -26.31 64.94 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -71.74 -17.29 62.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.178 0.513 . . . . 0.0 110.158 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.412 ' HB3' ' CE1' ' A' ' 79' ' ' TYR . 95.9 m-85 -103.03 -42.32 5.83 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.981 -178.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.57 179.31 46.84 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.39 -0.909 . . . . 0.0 113.0 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -93.46 134.61 35.53 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.084 0.554 . . . . 0.0 110.235 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.489 HG22 ' CD1' ' A' ' 37' ' ' LEU . 5.1 mt -125.84 130.49 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 120.946 -0.301 . . . . 0.0 110.286 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.612 HD21 ' HA ' ' A' ' 20' ' ' GLU . 10.6 mp 75.53 167.46 0.28 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.631 0.772 . . . . 0.0 112.309 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -89.3 1.68 55.41 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -172.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.645 ' HB2' HG21 ' A' ' 23' ' ' THR . 6.2 m-20 -65.09 -79.9 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 118.53 0.605 . . . . 0.0 111.695 -179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.4 mt 42.62 87.99 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.728 0.811 . . . . 0.0 112.734 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -119.15 -57.02 2.05 Favored 'General case' 0 C--N 1.289 -2.025 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.218 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.7 m -158.06 83.61 0.86 Allowed 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -90.45 -80.11 0.33 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.76 -174.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.495 HD12 ' HE ' ' A' ' 51' ' ' ARG . 72.5 mt -87.01 -14.3 42.01 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 176.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 168.5 -173.18 43.19 Favored Glycine 0 N--CA 1.423 -2.181 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -88.12 -0.97 57.71 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 117.569 0.684 . . . . 0.0 111.023 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.536 ' O ' ' HG3' ' A' ' 50' ' ' MET . 5.9 t -137.42 -20.02 1.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -80.38 37.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -173.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -99.43 -12.2 20.44 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 174.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.536 ' HG3' ' O ' ' A' ' 47' ' ' THR . 1.2 ppp? -78.55 37.89 0.29 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.242 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.495 ' HE ' HD12 ' A' ' 44' ' ' LEU . 37.0 mmt180 -70.28 79.86 0.53 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.555 0.693 . . . . 0.0 109.769 -179.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.63 ' HB ' ' HD2' ' A' ' 53' ' ' PRO . 49.8 p -139.11 172.83 5.9 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 115.289 -0.868 . . . . 0.0 109.113 -176.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.63 ' HD2' ' HB ' ' A' ' 52' ' ' THR . 55.1 Cg_endo -72.42 7.96 1.67 Allowed 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.949 1.766 . . . . 0.0 113.21 177.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.98 51.86 0.06 OUTLIER Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.396 -0.907 . . . . 0.0 113.474 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -139.09 140.83 38.11 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -109.87 140.77 43.44 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 121.076 0.465 . . . . 0.0 111.022 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' A' ' 58' ' ' GLN . 36.3 p90 -79.35 -24.45 42.7 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.856 -175.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.433 ' HB3' ' O ' ' A' ' 57' ' ' PHE . 7.9 tp-100 72.15 116.46 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.254 0.549 . . . . 0.0 110.338 -174.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -75.56 91.18 2.8 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.426 0.632 . . . . 0.0 110.582 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.44 145.11 31.56 Favored Pre-proline 0 C--N 1.311 -1.091 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.777 175.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.05 -64.95 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.114 2.542 . . . . 0.0 113.553 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -129.44 78.59 1.86 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.156 0.503 . . . . 0.0 111.082 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -131.72 143.45 50.27 Favored 'General case' 0 N--CA 1.425 -1.721 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.9 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 92.3 mtm180 -69.25 87.07 0.41 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.167 0.508 . . . . 0.0 109.749 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -66.02 -36.93 84.6 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.869 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.475 ' O ' ' HG3' ' A' ' 68' ' ' ARG . 2.1 tt -53.55 -39.91 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.061 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.9 m 55.89 30.92 16.81 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 178.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 66' ' ' ILE . 76.0 mtt85 -129.97 152.07 49.83 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.447 ' HG2' ' HE2' ' A' ' 76' ' ' LYS . 22.5 pt-20 -82.79 136.02 34.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.986 0.422 . . . . 0.0 110.331 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.406 ' CB ' ' HA ' ' A' ' 75' ' ' THR . 45.0 p-80 -158.16 166.63 31.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.994 -178.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.33 -143.87 13.29 Favored Glycine 0 N--CA 1.436 -1.31 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 177.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.9 ttt180 -108.36 -14.59 14.65 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 120.036 -0.665 . . . . 0.0 110.491 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 43.6 p -126.84 -0.84 6.65 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.682 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 -142.64 145.04 33.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.306 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.48 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 87.8 m -137.94 134.12 34.57 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.297 -178.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HE2' ' HG2' ' A' ' 69' ' ' GLU . 39.1 ttpt -88.18 117.62 27.2 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.5 mt -107.64 123.73 48.92 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.222 0.534 . . . . 0.0 110.87 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 30.8 m -110.47 113.08 25.45 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.412 ' CE1' ' HB3' ' A' ' 33' ' ' PHE . 10.1 m-85 -96.43 -9.19 30.4 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.154 -178.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 63.01 7.44 2.68 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.396 -178.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -130.47 140.54 50.53 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.795 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.407 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 57.1 p-80 -87.07 -20.64 26.85 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.396 -178.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.2 t -62.49 -43.88 97.74 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.989 0.423 . . . . 0.0 111.154 -178.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.0 p -84.39 -15.26 46.94 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.532 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 46.2 t80 -59.8 -50.59 73.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.16 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.49 -42.5 95.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.803 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -65.56 -37.27 86.21 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.084 0.469 . . . . 0.0 111.282 -177.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.15 -13.22 62.1 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.102 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 85' ' ' TYR . 45.1 mt -74.99 -5.56 44.59 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -176.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.531 ' HD3' ' OG1' ' A' ' 94' ' ' THR . 14.9 ptp180 -53.32 128.17 27.32 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 120.989 0.423 . . . . 0.0 111.338 179.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.477 ' HA ' ' O ' ' A' ' 101' ' ' ILE . 14.8 pt-20 -146.21 13.01 1.24 Allowed 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -110.97 -70.35 0.82 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.835 0.35 . . . . 0.0 111.652 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -97.9 57.62 1.09 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.685 -0.769 . . . . 0.0 113.052 -176.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.531 ' OG1' ' HD3' ' A' ' 90' ' ' ARG . 87.3 m -150.22 103.18 3.15 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.223 0.535 . . . . 0.0 110.372 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 95.5 mt -114.24 124.11 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.444 179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -121.29 128.06 51.97 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 42.7 t 62.85 23.18 13.84 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 121.07 0.462 . . . . 0.0 111.189 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.25 10.97 73.38 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.459 -0.877 . . . . 0.0 112.91 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.29 138.49 50.5 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.48 137.55 44.55 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.328 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 91' ' ' GLU . 51.1 mt -87.12 126.0 40.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.26 121.15 5.2 Favored Glycine 0 N--CA 1.437 -1.286 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.925 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.5 ' SG ' HG22 ' A' ' 15' ' ' VAL . 49.5 t -132.64 128.4 36.99 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-O 120.995 0.426 . . . . 0.0 110.672 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.07 165.57 33.81 Favored Pre-proline 0 C--N 1.316 -0.883 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.616 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -61.48 148.79 92.11 Favored 'Trans proline' 0 C--O 1.239 0.531 0 C-N-CA 122.163 1.909 . . . . 0.0 110.794 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.493 ' CE1' HD11 ' A' ' 111' ' ' ILE . 78.9 t80 -63.72 95.83 0.12 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.119 0.485 . . . . 0.0 110.943 -179.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -97.37 138.22 35.16 Favored 'General case' 0 N--CA 1.436 -1.141 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.613 177.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -67.33 -38.52 85.03 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.647 -177.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -67.86 -28.33 67.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.969 0.414 . . . . 0.0 110.682 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.8 tp -61.55 -36.59 81.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.771 178.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.493 HD11 ' CE1' ' A' ' 106' ' ' TYR . 46.0 mm -61.3 -42.79 94.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.577 178.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 15.5 m -60.35 -41.16 93.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.348 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -62.24 -50.73 70.6 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.273 0.558 . . . . 0.0 110.332 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.14 -42.14 96.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.137 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 31.9 p -66.8 -36.0 81.37 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 73.2 ttt-85 -67.19 -38.8 85.97 Favored 'General case' 0 N--CA 1.42 -1.957 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 70.05 96.53 0.07 Allowed 'General case' 0 C--O 1.24 0.569 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.117 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 132.49 -109.39 0.84 Allowed Glycine 0 N--CA 1.435 -1.425 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.539 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -105.89 169.94 8.19 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 120.667 0.27 . . . . 0.0 110.542 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -73.6 -36.83 65.56 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.521 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -139.67 -162.03 1.28 Allowed 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -135.19 111.61 9.82 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 120.667 0.27 . . . . 0.0 111.206 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 70.8 m80 65.38 -81.0 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.054 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 . . . . . 0 C--O 1.243 0.748 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.883 -178.895 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.574 0.226 . . . . 0.0 111.606 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -87.5 -46.69 9.37 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.935 0.397 . . . . 0.0 110.804 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 88.9 mt -118.68 129.7 55.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.928 -177.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.92 134.27 14.2 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 m -63.43 -44.23 95.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.558 0.179 . . . . 0.0 110.806 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 43.82 65.2 1.06 Allowed 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.239 0.962 . . . . 0.0 111.951 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.7 t -90.0 -136.05 0.12 Allowed 'General case' 0 N--CA 1.426 -1.656 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.03 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 64.14 4.74 2.18 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.608 1.163 . . . . 0.0 112.028 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.9 m -65.54 -45.72 82.31 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.592 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.55 -153.37 22.05 Favored Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.583 -178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -107.02 20.57 18.85 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 122.712 0.405 . . . . 0.0 111.384 -178.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.56 134.19 52.62 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.072 0.463 . . . . 0.0 111.758 -178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 m -116.4 156.3 17.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.902 176.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.23 112.26 39.63 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' A' ' 102' ' ' GLY . 22.3 t -113.72 132.75 61.78 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.483 ' HB3' ' HB3' ' A' ' 74' ' ' TRP . 32.3 p90 -142.73 165.31 27.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.656 -178.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.81 10.41 8.39 Favored Glycine 0 N--CA 1.459 0.182 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.539 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.443 ' HE2' HG12 ' A' ' 15' ' ' VAL . 28.6 p90 -139.93 167.35 22.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.751 0.31 . . . . 0.0 110.75 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -124.19 158.78 31.59 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -74.37 87.23 2.02 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -176.62 -29.88 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.755 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.4 HD11 ' HB2' ' A' ' 18' ' ' TYR . 1.9 pp -97.53 31.24 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.378 179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.482 HG23 HD12 ' A' ' 37' ' ' LEU . 7.8 m -57.99 -48.61 79.49 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.251 -174.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.563 ' HE3' ' HB2' ' A' ' 41' ' ' GLU . 11.0 mptt -61.66 -39.34 91.04 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.853 -173.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -65.98 -63.6 1.05 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.956 -178.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 tt -67.79 -30.95 50.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -175.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' HG ' HD23 ' A' ' 40' ' ' LEU . 2.9 tm? -63.31 -41.83 98.97 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.965 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.42 -28.63 67.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -85.29 -48.13 9.37 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.956 0.407 . . . . 0.0 111.576 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -84.22 -7.47 59.34 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -175.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.95 -23.46 53.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.643 0.258 . . . . 0.0 111.524 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -58.44 -26.09 62.94 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.251 0.548 . . . . 0.0 109.54 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -107.69 -48.26 3.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.707 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -178.31 -167.32 36.01 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.785 -178.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -94.42 158.28 15.63 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.3 mm -107.09 -77.55 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -175.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.482 HD12 HG23 ' A' ' 23' ' ' THR . 1.7 pp -138.43 -174.37 3.8 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -177.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -66.93 169.84 7.58 Favored 'General case' 0 CA--C 1.553 1.075 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -173.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 52.36 76.69 0.18 Allowed 'General case' 0 C--N 1.35 0.601 0 C-N-CA 124.915 1.286 . . . . 0.0 113.369 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.465 ' O ' ' HE3' ' A' ' 24' ' ' LYS . 6.1 mp -91.23 -31.34 16.19 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -178.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.563 ' HB2' ' HE3' ' A' ' 24' ' ' LYS . 40.7 mt-10 43.63 -94.27 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.424 0.689 . . . . 0.0 111.272 -175.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.2 m -87.79 92.49 9.14 Favored 'General case' 0 N--CA 1.439 -0.99 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 175.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -63.81 -78.43 0.04 OUTLIER 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.514 -0.767 . . . . 0.0 111.786 -175.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.534 ' HG ' ' N ' ' A' ' 45' ' ' GLY . 1.2 pt? -160.87 -54.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.504 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.534 ' N ' ' HG ' ' A' ' 44' ' ' LEU . . . 79.04 -1.14 76.25 Favored Glycine 0 C--N 1.339 0.743 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.66 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.37 -85.04 0.24 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.731 0.3 . . . . 0.0 111.783 -178.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -90.38 37.7 0.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.754 0.788 . . . . 0.0 109.983 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -59.47 -24.98 64.03 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.177 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 21.7 p -66.6 -31.83 72.78 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.497 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 52.1 ttp -108.94 108.88 19.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.895 0.379 . . . . 0.0 111.522 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.5 mmt85 -134.4 84.13 2.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.997 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.5 m 65.51 122.95 0.02 OUTLIER Pre-proline 0 CA--C 1.548 0.87 0 CA-C-O 121.728 0.775 . . . . 0.0 111.653 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -76.99 47.23 2.15 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 123.315 2.677 . . . . 0.0 112.751 -178.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -153.81 -57.56 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.021 -1.085 . . . . 0.0 113.7 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -133.22 164.02 27.99 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 120.973 0.416 . . . . 0.0 110.559 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -86.34 162.22 18.32 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.162 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -100.5 16.2 25.42 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.823 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -56.44 98.98 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.413 0.625 . . . . 0.0 111.108 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -78.84 90.15 4.69 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.535 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' A' ' 63' ' ' ARG . . . -86.9 120.63 71.73 Favored Pre-proline 0 C--N 1.315 -0.902 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.097 179.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -57.16 -31.6 90.97 Favored 'Trans proline' 0 N--CA 1.481 0.79 0 C-N-CA 123.196 2.598 . . . . 0.0 113.426 -178.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -89.58 6.53 40.73 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.011 0.434 . . . . 0.0 110.729 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.463 ' HB2' ' HB3' ' A' ' 60' ' ' ALA . 25.2 mmt180 -142.21 -168.91 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.921 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.456 ' H ' ' HG2' ' A' ' 64' ' ' ARG . 27.5 ptt180 -69.24 127.66 33.84 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.845 -1.07 . . . . 0.0 110.352 175.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -78.16 -60.35 2.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.718 0.771 . . . . 0.0 108.954 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.414 HG12 ' H ' ' A' ' 68' ' ' ARG . 8.1 tt -103.38 151.09 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 CA-C-N 114.684 -1.144 . . . . 0.0 108.947 177.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.9 t -59.13 -38.59 80.01 Favored 'General case' 0 C--O 1.242 0.685 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.414 ' H ' HG12 ' A' ' 66' ' ' ILE . 56.0 mmt-85 -120.62 149.0 43.16 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 120.91 0.386 . . . . 0.0 111.189 -178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.9 162.7 28.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.373 -177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -105.78 146.69 29.52 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.128 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.13 -92.55 2.03 Favored Glycine 0 N--CA 1.44 -1.087 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.238 177.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -128.09 -85.57 0.58 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.957 0.408 . . . . 0.0 110.591 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.2 p -114.84 21.97 13.89 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.608 0.718 . . . . 0.0 110.194 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.483 ' HB3' ' HB3' ' A' ' 16' ' ' PHE . 65.4 p-90 -134.61 148.01 50.33 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.169 -178.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 38.0 m -134.38 129.5 35.49 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.047 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -88.29 107.77 18.98 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.415 HD13 ' OH ' ' A' ' 79' ' ' TYR . 94.4 mt -92.85 118.59 31.28 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.276 0.56 . . . . 0.0 111.632 -175.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 87.8 m -112.37 114.19 26.79 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.865 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.415 ' OH ' HD13 ' A' ' 77' ' ' LEU . 98.0 m-85 -108.45 7.07 26.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.713 -178.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.36 -53.61 0.64 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.583 0.753 . . . . 0.0 112.501 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -81.99 144.95 30.53 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-O 120.977 0.418 . . . . 0.0 110.727 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.411 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 51.5 p-80 -74.4 -22.66 59.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.233 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.666 ' O ' ' HG2' ' A' ' 87' ' ' ARG . 11.1 m -62.05 -51.39 68.16 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.329 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -65.46 -33.47 76.02 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.227 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.411 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 19.8 t80 -57.28 -50.17 73.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.663 177.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.1 tp -67.51 -37.37 82.7 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.131 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.666 ' HG2' ' O ' ' A' ' 83' ' ' SER . 30.1 mmm180 -63.41 -37.21 86.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.586 -178.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.51 -12.94 60.11 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.906 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.9 tp -67.63 -7.49 26.99 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.228 0.611 . . . . 0.0 111.896 -177.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -58.1 86.6 0.01 OUTLIER 'General case' 0 CA--C 1.557 1.223 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -105.39 -9.83 17.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.154 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -59.79 91.78 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 -176.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.89 32.5 84.13 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.723 177.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.8 m -86.26 90.79 8.27 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.017 0.437 . . . . 0.0 110.627 -179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.527 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 93.2 mt -102.86 126.66 57.06 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.329 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -134.34 134.55 41.92 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 -179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 52.8 t 73.62 -37.01 0.36 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.02 0.528 . . . . 0.0 111.632 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.76 -31.53 0.27 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.908 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -111.47 160.85 16.73 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.527 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -84.87 136.72 33.53 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.49 178.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 40.6 pt -86.77 136.49 22.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.501 ' O ' ' HA ' ' A' ' 15' ' ' VAL . . . -98.86 115.67 5.37 Favored Glycine 0 N--CA 1.433 -1.505 0 C-N-CA 120.501 -0.856 . . . . 0.0 112.268 -177.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 56.6 m -109.78 102.06 10.89 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.2 m -123.23 158.01 59.45 Favored Pre-proline 0 C--N 1.312 -1.06 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.367 -178.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.1 152.04 82.25 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.869 2.379 . . . . 0.0 110.995 177.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -56.89 102.29 0.08 Allowed 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.422 0.451 . . . . 0.0 111.256 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.464 ' O ' HG12 ' A' ' 111' ' ' ILE . 60.3 mtpt -101.93 134.92 44.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.232 177.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -63.89 -47.56 80.16 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.74 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -68.8 -33.14 73.35 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.315 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 50.1 tp -59.89 -40.73 89.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.721 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 107' ' ' LYS . 45.6 mm -61.82 -43.97 98.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.3 m -61.51 -42.77 99.31 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 176.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -58.74 -49.58 77.1 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.817 0.341 . . . . 0.0 110.497 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.98 -43.35 95.99 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.432 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.3 p -73.6 -41.65 62.55 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -71.67 -45.1 62.97 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -178.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 51.28 81.35 0.07 Allowed 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 121.413 0.625 . . . . 0.0 111.861 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -131.71 15.11 5.21 Favored Glycine 0 C--O 1.223 -0.544 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.415 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 55.05 -64.22 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 124.934 1.293 . . . . 0.0 113.897 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -141.46 112.35 7.23 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -93.86 -81.14 0.38 Allowed 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.601 -177.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -142.23 123.26 14.52 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 177.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 69.6 t60 70.95 -46.12 0.63 Allowed 'General case' 0 N--CA 1.476 0.833 0 O-C-N 123.78 0.675 . . . . 0.0 110.595 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.074 176.211 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ptt? . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.664 0.269 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m -85.51 -15.84 41.48 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.667 -178.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 tt -64.17 -45.37 88.71 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 120.959 0.409 . . . . 0.0 110.598 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.56 169.82 24.62 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.385 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 p -92.04 118.05 30.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.95 0.405 . . . . 0.0 110.497 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.01 -10.59 59.96 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -177.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.9 t -97.9 1.08 47.71 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.197 -178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 62.78 24.58 14.63 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.205 178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.445 HG22 ' HB3' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -94.17 30.77 1.82 Allowed 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.169 0.509 . . . . 0.0 110.635 -178.37 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.79 -4.49 54.17 Favored Glycine 0 C--O 1.227 -0.309 0 CA-C-N 115.882 -0.599 . . . . 0.0 113.053 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -97.45 5.65 49.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.885 0.374 . . . . 0.0 110.289 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.445 ' HB3' HG22 ' A' ' 9' ' ' THR . . . -135.26 143.18 46.15 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.51 -178.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.27 160.27 42.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.505 179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -107.94 114.44 46.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 177.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.417 HG12 ' HE2' ' A' ' 18' ' ' TYR . 21.5 t -109.09 127.3 65.88 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -141.93 173.34 11.6 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.871 0.367 . . . . 0.0 111.485 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.76 -2.57 23.09 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.685 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.417 ' HE2' HG12 ' A' ' 15' ' ' VAL . 36.4 p90 -125.94 176.1 7.22 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.757 0.313 . . . . 0.0 111.309 -178.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -128.32 166.31 18.88 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.596 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 36.8 tt0 -76.68 86.16 3.32 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.24 0.543 . . . . 0.0 109.629 177.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -168.23 -39.66 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.363 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 pp -88.5 21.11 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.354 -179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.4 m -61.0 -47.93 84.18 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.298 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -56.52 -37.26 70.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.47 0.652 . . . . 0.0 109.425 -178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -72.47 -67.05 0.58 Allowed 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.426 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.4 tt -66.16 -33.5 63.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -173.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.547 ' CD1' ' HA ' ' A' ' 43' ' ' GLU . 2.4 tm? -63.27 -39.65 95.18 Favored 'General case' 0 C--O 1.203 -1.379 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.372 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.39 -34.48 73.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.772 0.32 . . . . 0.0 111.787 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -83.28 -46.83 12.17 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.742 0.306 . . . . 0.0 111.794 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.426 ' HB3' HD11 ' A' ' 36' ' ' ILE . 54.2 m-85 -83.78 -4.9 59.01 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -177.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -56.32 -14.97 3.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.459 0.304 . . . . 0.0 111.725 179.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -60.26 -27.49 67.28 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 175.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -95.75 -67.65 0.84 Allowed 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.533 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.26 -161.35 25.66 Favored Glycine 0 C--N 1.339 0.716 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.255 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.45 139.77 57.08 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 116.856 0.328 . . . . 0.0 110.298 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.47 ' O ' HG21 ' A' ' 75' ' ' THR . 43.5 mm -103.83 -54.52 6.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 120.906 0.384 . . . . 0.0 110.531 178.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 5.2 mp -117.82 179.6 4.03 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.315 179.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.581 ' O ' ' HD2' ' A' ' 65' ' ' ARG . 50.9 mt-10 -65.73 -37.49 86.55 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.72 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.75 142.11 49.76 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.854 176.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.414 HD21 ' HG3' ' A' ' 43' ' ' GLU . 1.2 tt -173.14 101.86 0.13 Allowed 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.787 -0.819 . . . . 0.0 108.787 179.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -101.71 -43.47 5.84 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.046 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.4 t -145.83 122.79 11.35 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.547 ' HA ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -90.99 -78.85 0.38 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.55 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -124.03 -48.68 1.86 Allowed 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.971 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.65 128.15 4.9 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.97 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 62.03 27.11 16.39 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.191 0.596 . . . . 0.0 111.854 178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -164.32 33.2 0.07 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 121.52 0.676 . . . . 0.0 110.854 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 42.5 tt0 -59.4 -36.07 75.14 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.948 -178.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.2 t -78.56 -16.72 57.11 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.2 ttp -64.27 -40.37 95.85 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.348 0.594 . . . . 0.0 109.682 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -86.99 153.61 21.42 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.99 178.087 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.2 p 57.97 158.77 0.09 OUTLIER Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 124.315 1.046 . . . . 0.0 113.717 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -69.91 -156.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 122.828 2.352 . . . . 0.0 111.702 176.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.63 32.43 1.21 Allowed Glycine 0 CA--C 1.526 0.748 0 C-N-CA 121.115 -0.564 . . . . 0.0 113.455 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -124.22 113.22 17.99 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -103.54 131.85 50.31 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 120.93 0.395 . . . . 0.0 110.461 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -69.78 -37.98 76.54 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.738 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 66.91 120.78 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.711 0.632 . . . . 0.0 110.194 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -69.6 88.75 0.51 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.223 0.535 . . . . 0.0 111.256 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.41 102.92 55.38 Favored Pre-proline 0 N--CA 1.441 -0.915 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.923 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.16 -14.07 31.49 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.905 2.404 . . . . 0.0 112.773 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -82.86 -9.85 59.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.469 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 -134.83 -164.78 1.57 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.486 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.541 ' HD3' ' H ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -82.42 128.98 34.78 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.522 176.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.581 ' HD2' ' O ' ' A' ' 38' ' ' GLU . 80.3 mtt85 -71.65 -44.73 63.8 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.83 0.348 . . . . 0.0 110.869 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.486 HG12 ' H ' ' A' ' 68' ' ' ARG . 15.7 tt -89.06 131.8 35.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.366 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -96.31 27.84 3.55 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.953 -176.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.486 ' H ' HG12 ' A' ' 66' ' ' ILE . 6.8 tpt180 -134.04 148.59 51.09 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 76' ' ' LYS . 1.2 pm0 -75.56 147.86 39.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.958 0.409 . . . . 0.0 111.5 -178.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -154.25 169.75 22.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -176.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -105.65 -163.86 23.38 Favored Glycine 0 N--CA 1.443 -0.878 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -94.8 -19.68 20.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.247 0.524 . . . . 0.0 111.506 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.9 p -123.43 -2.72 8.45 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.65 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -143.12 147.84 35.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.425 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.47 HG21 ' O ' ' A' ' 36' ' ' ILE . 59.3 m -128.04 132.54 49.09 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 120.951 0.405 . . . . 0.0 111.57 -178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 69' ' ' GLU . 83.9 tttt -91.31 113.73 26.08 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 176.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.404 ' O ' ' HA ' ' A' ' 12' ' ' ALA . 96.7 mt -112.76 124.57 52.88 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.038 0.447 . . . . 0.0 111.52 -178.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 60.9 m -111.03 123.74 50.78 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.43 ' C ' ' H ' ' A' ' 81' ' ' ASN . 47.8 m-85 -103.59 -3.72 24.83 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.273 -176.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 69.95 -36.23 0.34 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.671 0.788 . . . . 0.0 111.793 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.43 ' H ' ' C ' ' A' ' 79' ' ' TYR . 14.6 m120 -99.36 139.57 34.82 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 178.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.475 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 45.2 p-80 -80.47 -15.78 55.93 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.18 0.514 . . . . 0.0 110.293 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.5 m -62.14 -40.41 95.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.592 178.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.0 m -71.85 -18.57 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.337 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.475 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 62.3 t80 -60.13 -49.28 78.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.21 -42.61 96.54 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.055 0.455 . . . . 0.0 111.202 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -67.95 -42.19 81.32 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.715 -178.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.93 -13.52 60.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.997 0.427 . . . . 0.0 111.632 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.4 tp -79.53 -6.0 56.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.694 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.488 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 12.0 ptm180 -49.04 108.94 0.21 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -108.76 4.46 23.71 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.419 175.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -76.13 93.1 3.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.325 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.53 28.62 73.43 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.703 -0.68 . . . . 0.0 113.134 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 18.2 m -82.36 82.81 7.69 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-O 121.332 0.587 . . . . 0.0 110.355 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 97.5 mt -111.54 126.09 68.9 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.461 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.353 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -136.4 133.08 36.33 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.301 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 49.4 t 68.15 16.25 9.42 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.463 0.649 . . . . 0.0 110.609 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.21 -10.63 61.72 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.686 -0.688 . . . . 0.0 113.107 178.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.19 146.41 50.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 117.154 0.477 . . . . 0.0 111.698 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -77.62 142.42 38.91 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.216 176.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.8 pt -97.48 154.15 3.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.097 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -115.74 131.58 9.74 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.465 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . . . . . . . . . 7.5 p -131.44 130.4 42.46 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 120.869 0.366 . . . . 0.0 110.654 178.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.9 m -132.64 161.58 62.48 Favored Pre-proline 0 C--N 1.315 -0.894 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.704 179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -65.3 160.89 40.19 Favored 'Trans proline' 0 C--O 1.239 0.528 0 C-N-CA 121.936 1.757 . . . . 0.0 109.689 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -60.03 97.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.416 0.627 . . . . 0.0 110.433 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -96.69 116.29 28.88 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.019 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -60.03 -45.51 92.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.796 -175.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -66.8 -30.69 70.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.982 0.42 . . . . 0.0 111.033 -178.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.98 -40.35 95.32 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.484 -179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 43.8 mm -62.02 -43.67 97.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.1 m -61.54 -41.51 97.46 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.439 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 44.6 mt-10 -67.24 -41.12 86.18 Favored 'General case' 0 C--O 1.22 -0.467 0 CA-C-O 121.003 0.43 . . . . 0.0 111.186 179.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.0 -38.37 88.3 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.881 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.1 p -78.8 0.42 27.08 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 113' ' ' GLU . 14.8 ptm180 -66.23 -18.85 65.6 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.936 0.398 . . . . 0.0 110.243 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -74.83 87.11 2.25 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.658 0.742 . . . . 0.0 109.744 178.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 115.65 -14.02 17.66 Favored Glycine 0 C--N 1.297 -1.603 0 CA-C-N 114.905 -1.043 . . . . 0.0 111.35 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 66.2 m80 60.66 24.86 14.64 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.862 0.465 . . . . 0.0 111.678 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -68.35 115.88 8.29 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 68.49 13.49 8.97 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.983 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -83.32 -4.17 58.19 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.894 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -97.79 119.41 36.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.292 178.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.795 -0.622 . . . . 0.0 110.441 179.734 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptp . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 111.638 0.236 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 m -85.71 98.63 10.81 Favored 'General case' 0 C--O 1.239 0.537 0 CA-C-O 120.838 0.351 . . . . 0.0 110.332 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -123.09 109.66 14.33 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.11 -179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.36 -31.16 55.51 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.558 177.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m 69.59 163.14 0.24 Allowed 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.72 0.808 . . . . 0.0 111.087 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -85.09 60.14 6.07 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.673 0.749 . . . . 0.0 110.519 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.2 p -115.78 -113.35 0.34 Allowed 'General case' 0 N--CA 1.427 -1.599 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.441 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 55.85 34.56 23.75 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 123.538 0.523 . . . . 0.0 111.695 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.3 m 73.84 9.51 4.78 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-O 121.313 0.577 . . . . 0.0 111.02 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -68.77 -4.68 41.62 Favored Glycine 0 C--O 1.223 -0.582 0 CA-C-N 115.944 -0.571 . . . . 0.0 113.979 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -62.24 -37.92 87.24 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 176.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.8 129.49 38.71 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.659 176.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 m -112.13 155.49 13.42 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.022 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.701 -177.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -99.54 117.0 44.04 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.452 HG22 ' HB3' ' A' ' 103' ' ' CYS . 47.1 t -101.56 122.04 53.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.991 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.581 -179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -134.63 157.8 45.68 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.557 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.49 0.27 21.9 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.068 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.57 ' HB2' HD11 ' A' ' 22' ' ' ILE . 38.8 p90 -105.84 171.47 7.32 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -140.66 160.82 39.2 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 178.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.475 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 34.1 tt0 -76.54 61.48 1.77 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.45 0.643 . . . . 0.0 110.475 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -158.49 9.19 0.14 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.711 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.57 HD11 ' HB2' ' A' ' 18' ' ' TYR . 30.0 pt -131.16 20.0 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.3 m -60.82 -44.41 96.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -59.95 -29.49 68.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.25 0.548 . . . . 0.0 110.169 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -89.24 -68.99 0.74 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -176.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.1 tt -64.82 -40.66 89.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -173.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.76 -34.39 77.73 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 116.754 -0.203 . . . . 0.0 110.854 -177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.97 -32.73 66.36 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 120.998 0.428 . . . . 0.0 111.263 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -90.74 -41.78 11.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.819 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -85.59 -7.39 58.88 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -175.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.9 -23.86 55.2 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.071 0.462 . . . . 0.0 110.847 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -59.6 -36.73 76.85 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.244 176.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -95.19 -50.63 4.97 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.055 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.23 150.07 7.92 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 121.321 -0.466 . . . . 0.0 112.069 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' CD ' HH22 ' A' ' 51' ' ' ARG . 3.4 mp0 -70.52 137.25 50.02 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 122.757 0.423 . . . . 0.0 111.534 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.487 ' N ' HD12 ' A' ' 36' ' ' ILE . 3.6 mp -94.07 -40.57 11.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.909 -178.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' A' ' 20' ' ' GLU . 4.4 mp -121.72 168.12 12.17 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -175.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -69.13 -32.04 71.15 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.725 178.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -65.43 146.43 54.89 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.059 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.414 ' HG ' HH21 ' A' ' 65' ' ' ARG . 2.0 tm? -157.34 113.8 2.95 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -178.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.5 -81.05 0.44 Allowed 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.959 179.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.9 m -103.88 -61.9 1.37 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.085 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.478 ' CD ' HH21 ' A' ' 51' ' ' ARG . 44.1 tt0 65.43 100.29 0.04 OUTLIER 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 178.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.0 mt 51.22 -137.63 1.15 Allowed 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 115.208 -0.906 . . . . 0.0 111.149 175.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.04 -78.23 0.24 Allowed Glycine 0 N--CA 1.436 -1.325 0 C-N-CA 120.665 -0.778 . . . . 0.0 111.357 177.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -67.88 -41.63 82.49 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.478 ' HA ' ' HG2' ' A' ' 51' ' ' ARG . 6.2 t 44.3 31.57 0.59 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.813 1.245 . . . . 0.0 113.233 -177.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -115.24 -27.16 7.36 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.074 175.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 t -132.81 -29.05 1.53 Allowed 'General case' 0 C--O 1.239 0.504 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.685 -177.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.437 ' O ' ' HG3' ' A' ' 50' ' ' MET . 15.8 tpt -85.41 28.37 0.75 Allowed 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.721 0.772 . . . . 0.0 110.625 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.478 ' HG2' ' HA ' ' A' ' 47' ' ' THR . 0.1 OUTLIER -151.9 138.42 18.64 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.851 -178.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.487 ' HB ' ' CD ' ' A' ' 53' ' ' PRO . 41.4 p 56.6 174.28 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.164 0 C-N-CA 124.115 0.966 . . . . 0.0 112.341 177.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.487 ' CD ' ' HB ' ' A' ' 52' ' ' THR . 27.3 Cg_exo -66.94 -19.12 52.5 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.501 2.134 . . . . 0.0 111.932 176.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 150.93 55.78 0.01 OUTLIER Glycine 0 C--N 1.314 -0.654 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.789 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -127.28 134.06 50.09 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -79.02 143.6 35.49 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.406 177.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -61.12 -52.25 65.68 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.43 ' HG2' ' N ' ' A' ' 59' ' ' GLN . 61.6 tt0 59.75 172.97 0.08 Allowed 'General case' 0 CA--C 1.56 1.34 0 O-C-N 123.294 0.371 . . . . 0.0 110.621 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.451 ' O ' ' HB3' ' A' ' 65' ' ' ARG . 54.1 tt0 -132.24 -75.09 0.51 Allowed 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.846 -0.534 . . . . 0.0 110.746 177.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 43.7 84.27 0.19 Allowed Pre-proline 0 C--N 1.313 -1.017 0 O-C-N 124.126 0.891 . . . . 0.0 112.871 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.1 -29.02 81.68 Favored 'Trans proline' 0 N--CA 1.477 0.519 0 C-N-CA 122.935 2.423 . . . . 0.0 112.731 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -80.09 -8.32 59.33 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.533 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' A' ' 63' ' ' ARG . 51.2 mmt-85 -133.65 178.59 6.82 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-O 120.856 0.36 . . . . 0.0 111.636 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -92.76 111.72 23.42 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.849 -178.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -64.96 -32.42 74.14 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.733 -178.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.415 ' N ' ' HD3' ' A' ' 65' ' ' ARG . 4.2 tt -66.79 -39.12 82.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 121.165 0.507 . . . . 0.0 111.405 177.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 t 67.31 29.29 7.62 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.384 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 76' ' ' LYS . 14.4 tpp180 -135.52 139.01 43.64 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -74.03 136.17 43.1 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -149.12 170.45 18.39 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.432 -176.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.462 ' HA3' ' CE2' ' A' ' 74' ' ' TRP . . . -106.63 -158.64 21.69 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.819 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.6 ttp-105 -69.55 -44.7 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.912 0.387 . . . . 0.0 111.866 -177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 33.7 p -129.29 15.17 6.15 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.303 -175.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.462 ' CE2' ' HA3' ' A' ' 71' ' ' GLY . 60.1 p-90 -140.17 143.19 35.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.183 -179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.401 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 9.8 t -142.19 147.08 35.98 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.422 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 27.4 ttpp -100.15 118.92 37.48 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD11 HG13 ' A' ' 36' ' ' ILE . 68.0 mt -102.79 130.58 49.82 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.031 0.443 . . . . 0.0 111.225 -177.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 90.4 m -103.99 111.32 23.83 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -88.07 -18.78 28.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.754 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 68.31 -59.37 0.44 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.722 0.809 . . . . 0.0 112.139 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -82.7 140.27 33.19 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.974 0.416 . . . . 0.0 110.247 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -79.26 -25.18 42.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.635 -178.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.7 t -61.42 -41.5 97.27 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.801 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 p -81.93 -15.48 53.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.098 0.475 . . . . 0.0 111.371 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -62.33 -42.08 99.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.968 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.11 -43.92 98.15 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -67.23 -37.17 83.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.847 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.58 -12.91 57.38 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 31.9 tp -82.27 -6.41 59.21 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.864 0.364 . . . . 0.0 110.974 -178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 27.1 ptt180 -53.43 102.08 0.05 Allowed 'General case' 0 CA--C 1.559 1.303 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -177.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -120.41 1.18 10.68 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.86 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -62.66 -38.02 88.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.315 -177.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -171.6 68.79 0.13 Allowed Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.4 m -111.53 92.05 3.89 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.095 0.474 . . . . 0.0 111.061 -177.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.456 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 88.7 mt -105.32 122.94 59.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.077 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -131.25 136.24 48.03 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 34.5 t 64.99 13.21 8.49 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.162 0.506 . . . . 0.0 111.466 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.83 7.39 56.57 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.647 -0.787 . . . . 0.0 113.1 179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -142.69 145.51 33.47 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 117.267 0.534 . . . . 0.0 111.389 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.456 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -80.08 134.07 36.16 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.872 0.368 . . . . 0.0 110.682 177.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 29.5 pt -96.73 140.24 17.81 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.05 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.782 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -107.87 116.01 4.69 Favored Glycine 0 N--CA 1.437 -1.295 0 C-N-CA 120.109 -1.043 . . . . 0.0 112.126 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.452 ' HB3' HG22 ' A' ' 15' ' ' VAL . 5.2 p -121.57 100.8 7.22 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.265 0.555 . . . . 0.0 110.201 177.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.478 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 24.7 m -115.35 159.2 39.17 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.007 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.478 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 18.8 Cg_endo -58.83 151.56 63.71 Favored 'Trans proline' 0 C--O 1.242 0.715 0 C-N-CA 122.52 2.147 . . . . 0.0 111.642 179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.409 ' CD1' ' HD3' ' A' ' 76' ' ' LYS . 87.9 t80 -61.06 120.62 10.62 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.585 0.707 . . . . 0.0 112.492 -176.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -125.83 132.27 52.26 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 174.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -66.7 -34.76 78.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.822 0.344 . . . . 0.0 111.192 -177.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -68.34 -34.81 76.76 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.153 178.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.53 ' O ' HD13 ' A' ' 114' ' ' LEU . 26.5 tp -62.12 -43.43 98.86 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.984 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.48 -42.2 92.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.863 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.7 t -61.22 -45.67 93.59 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.716 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -61.45 -47.27 86.49 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.641 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 110' ' ' LEU . 10.7 mp -62.51 -33.96 75.93 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.1 m -73.55 -22.2 60.14 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 121.117 0.484 . . . . 0.0 110.363 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -87.21 -47.98 8.41 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.622 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 64.83 80.07 0.24 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.497 0.719 . . . . 0.0 111.253 -177.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.88 -12.94 76.18 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.278 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -81.54 73.61 8.57 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -93.18 114.93 27.55 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.673 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -158.12 159.18 35.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.142 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -153.01 -58.61 0.13 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.106 0.479 . . . . 0.0 110.137 178.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -143.25 122.71 13.16 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.076 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 80.2 m80 . . . . . 0 C--N 1.311 -1.099 0 CA-C-O 118.461 -0.78 . . . . 0.0 110.153 179.75 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.1 mtm . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 120.663 0.268 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 p -89.02 -22.49 22.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.193 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 40.5 tp 66.3 8.86 5.94 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.521 0.728 . . . . 0.0 111.338 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.98 165.83 36.01 Favored Glycine 0 N--CA 1.444 -0.778 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 p -152.46 150.0 29.16 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 117.062 0.431 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -99.4 13.79 32.02 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.714 -178.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.5 m -65.32 -15.9 63.02 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.256 -0.883 . . . . 0.0 112.766 -175.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -69.24 -11.87 61.18 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-O 121.394 0.616 . . . . 0.0 111.714 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 m -66.54 -32.17 73.35 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.485 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -72.67 50.38 1.43 Allowed Glycine 0 C--N 1.34 0.755 0 CA-C-N 115.772 -0.649 . . . . 0.0 114.333 -175.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -120.52 8.75 10.75 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.322 0.582 . . . . 0.0 110.113 176.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -139.02 142.62 38.26 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.964 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.8 m -120.5 159.84 21.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.044 0.449 . . . . 0.0 111.429 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.7 t -110.63 115.23 49.26 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.9 t -112.79 129.77 67.81 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.349 -178.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -147.41 170.04 18.22 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.27 -30.58 4.71 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.861 177.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -99.34 -170.2 1.87 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.833 0.349 . . . . 0.0 111.453 -178.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.716 ' O ' HG13 ' A' ' 22' ' ' ILE . 75.5 ttt180 -119.56 153.17 35.82 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.77 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.579 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -67.11 -30.3 70.28 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.052 -0.405 . . . . 0.0 112.009 -179.228 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' H ' ' HG2' ' A' ' 19' ' ' ARG . . . -61.17 -25.95 67.37 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.716 HG13 ' O ' ' A' ' 19' ' ' ARG . 2.8 pp -86.55 22.1 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -176.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 30.5 m -57.47 -45.58 84.65 Favored 'General case' 0 C--O 1.217 -0.619 0 C-N-CA 120.864 -0.334 . . . . 0.0 111.356 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.525 ' HE3' ' HB2' ' A' ' 41' ' ' GLU . 39.9 mmtm -58.74 -41.18 85.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.851 0.358 . . . . 0.0 111.363 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -70.81 -60.98 1.94 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.93 -177.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.2 tt -65.76 -27.66 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.056 -174.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.493 HD21 ' HB3' ' A' ' 43' ' ' GLU . 42.0 tp -63.02 -35.46 80.31 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.391 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.62 -37.59 70.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.67 0.271 . . . . 0.0 111.323 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -90.85 -46.04 8.44 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -79.04 -5.77 54.78 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 -176.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' ' 51' ' ' ARG . . . -58.8 -23.8 60.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.676 0.274 . . . . 0.0 111.265 177.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -66.04 -22.04 66.41 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 120.943 0.402 . . . . 0.0 110.274 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -89.99 -55.75 3.5 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.241 177.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.47 -134.57 4.11 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 119.388 -1.387 . . . . 0.0 114.723 177.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.507 ' CD ' HG13 ' A' ' 66' ' ' ILE . 36.1 tt0 -67.43 123.75 21.27 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.665 1.186 . . . . 0.0 111.197 -176.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 35' ' ' GLU . 9.2 mm -134.45 145.51 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 N-CA-C 111.795 0.295 . . . . 0.0 111.795 -178.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.579 ' CD1' ' HA ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER 50.77 -107.57 0.3 Allowed 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 177.41 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.5 ' HG3' ' HB2' ' A' ' 65' ' ' ARG . 35.2 tt0 -169.31 -54.16 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.889 0.376 . . . . 0.0 111.506 -174.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -81.93 74.16 8.93 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.8 mt -70.76 -74.99 0.13 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.037 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.525 ' HB2' ' HE3' ' A' ' 24' ' ' LYS . 46.0 mt-10 65.05 -74.78 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.568 0.747 . . . . 0.0 111.965 -179.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.6 t -117.01 111.69 19.93 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.493 ' HB3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -105.55 -93.61 0.36 Allowed 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.215 -178.324 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.4 mt -118.16 -35.11 3.91 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.757 -177.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.449 ' O ' ' HB3' ' A' ' 46' ' ' ASP . . . 93.36 98.42 1.49 Allowed Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 -175.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.581 ' O ' HG22 ' A' ' 47' ' ' THR . 25.7 t70 75.46 169.12 0.28 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.032 0.533 . . . . 0.0 110.25 -176.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.581 HG22 ' O ' ' A' ' 46' ' ' ASP . 0.6 OUTLIER 70.24 17.79 7.03 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.927 0.891 . . . . 0.0 111.284 -179.711 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -62.21 -33.27 74.25 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.957 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.5 p -79.31 -3.03 44.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.805 -178.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 97.0 mmm -107.69 16.93 23.19 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 31' ' ' ALA . 2.5 mpt_? -113.41 -1.66 14.14 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 69.9 p -136.2 162.94 53.61 Favored Pre-proline 0 C--N 1.305 -1.355 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.442 -178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.588 ' HD2' ' CE2' ' A' ' 55' ' ' TYR . 34.0 Cg_exo -63.56 -19.15 67.13 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.749 2.299 . . . . 0.0 111.776 177.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.78 59.96 0.05 OUTLIER Glycine 0 N--CA 1.44 -1.045 0 CA-C-N 115.402 -0.817 . . . . 0.0 113.211 179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.588 ' CE2' ' HD2' ' A' ' 53' ' ' PRO . 25.3 p90 -152.86 159.81 43.04 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -111.95 141.23 45.86 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.461 176.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.417 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 32.0 p90 -85.08 -16.73 39.63 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.881 -178.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 57' ' ' PHE . 79.5 mt-30 74.96 97.89 0.07 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.525 0.73 . . . . 0.0 110.66 -176.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -75.06 87.32 2.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.559 -178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.08 120.25 1.68 Allowed Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.312 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.6 -24.84 76.83 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 123.36 2.707 . . . . 0.0 112.775 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -84.13 -3.83 58.37 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.967 0.413 . . . . 0.0 110.903 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -118.34 -171.65 2.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.783 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -69.78 117.56 11.53 Favored 'General case' 0 N--CA 1.432 -1.364 0 CA-C-N 115.124 -0.943 . . . . 0.0 108.925 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.503 ' HD2' ' H ' ' A' ' 65' ' ' ARG . 3.0 mpt_? -75.33 -24.52 57.38 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 121.534 0.683 . . . . 0.0 109.704 -177.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.507 HG13 ' CD ' ' A' ' 35' ' ' GLU . 10.2 tt -135.38 142.86 38.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.334 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.1 m -58.94 -42.58 90.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.868 -177.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -92.41 151.18 20.38 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.593 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.71 132.32 42.55 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.421 0.629 . . . . 0.0 111.014 -178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -106.48 125.15 50.64 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.534 -178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.76 -119.59 0.87 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.609 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -86.94 -82.98 0.2 Allowed 'General case' 0 CA--C 1.506 -0.737 0 CA-C-O 121.233 0.54 . . . . 0.0 110.639 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.4 p -114.85 9.86 16.32 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.234 -177.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 67.1 p-90 -110.97 137.41 48.63 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.091 0.472 . . . . 0.0 111.057 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.9 m -130.5 129.76 43.32 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.96 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -96.27 114.15 25.81 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.36 -0.536 . . . . 0.0 109.571 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.1 mt -96.69 121.44 38.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.988 0.423 . . . . 0.0 110.397 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.2 m -111.72 112.0 23.39 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.737 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -108.13 -12.17 15.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.227 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 66.53 -1.19 1.33 Allowed 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.538 -0.755 . . . . 0.0 112.409 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -116.82 132.5 56.68 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.819 0.342 . . . . 0.0 110.107 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -64.87 -36.04 83.08 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.597 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.1 t -59.81 -50.27 74.47 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.5 m -67.01 -36.74 82.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.389 0.614 . . . . 0.0 110.328 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.441 ' OH ' ' HB3' ' A' ' 105' ' ' PRO . 19.5 t80 -58.66 -50.67 73.01 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.805 179.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.0 tp -67.84 -39.46 83.83 Favored 'General case' 0 N--CA 1.429 -1.503 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.466 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -68.27 -20.72 64.8 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.019 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.33 -25.93 68.53 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.743 0.306 . . . . 0.0 111.74 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.445 ' HA ' ' HB2' ' A' ' 103' ' ' CYS . 11.1 mp -74.62 -5.3 42.19 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 122.886 0.474 . . . . 0.0 111.884 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -52.86 139.02 28.26 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 121.482 0.658 . . . . 0.0 112.281 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -79.66 1.38 26.51 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.792 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 70.6 m80 -69.23 -17.67 63.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.517 ' O ' HG22 ' A' ' 94' ' ' THR . . . -65.19 -43.93 94.68 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.256 -1.538 . . . . 0.0 109.256 173.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 93' ' ' GLY . 3.1 t 54.65 -165.04 0.1 Allowed 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 170.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.517 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 91.9 mt -74.24 103.13 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.413 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.408 ' C ' ' H ' ' A' ' 98' ' ' GLY . 2.7 t80 -111.09 129.13 56.02 Favored 'General case' 0 N--CA 1.427 -1.592 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.489 -178.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 48.5 t 71.46 -36.4 0.36 Allowed 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.207 0.603 . . . . 0.0 111.883 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 96' ' ' TYR . . . 169.88 -17.08 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 121.274 -0.488 . . . . 0.0 112.886 -179.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.5 153.68 50.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.083 0.442 . . . . 0.0 111.177 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -70.54 152.43 43.98 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.676 178.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.465 HG13 ' C ' ' A' ' 93' ' ' GLY . 1.3 mt -82.94 119.73 32.98 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 -179.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.6 103.95 2.22 Favored Glycine 0 N--CA 1.438 -1.181 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.323 -178.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 89' ' ' LEU . 14.2 m -109.03 110.22 21.44 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.6 m -113.3 158.16 39.07 Favored Pre-proline 0 C--N 1.31 -1.114 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.66 -179.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.441 ' HB3' ' OH ' ' A' ' 85' ' ' TYR . 27.2 Cg_exo -62.46 150.87 85.93 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.467 2.111 . . . . 0.0 110.93 176.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -59.0 115.13 2.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.187 0.518 . . . . 0.0 110.986 -178.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.401 ' O ' HG12 ' A' ' 111' ' ' ILE . 99.5 mttt -120.04 117.52 28.23 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.177 178.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.6 -41.11 94.09 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.842 -177.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 44.3 tp10 -63.33 -42.95 99.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.373 . . . . 0.0 110.398 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 62.2 tp -62.33 -42.7 99.6 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.001 179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 107' ' ' LYS . 35.4 mm -62.46 -42.76 96.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.124 179.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 6.2 t -59.89 -48.84 80.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.001 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.34 -41.13 98.86 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 120.388 -0.525 . . . . 0.0 111.411 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 89.3 mt -63.54 -43.29 97.54 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.386 179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.6 m -66.24 -40.25 90.11 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.695 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 112' ' ' SER . 99.5 mtt180 -64.53 -41.27 96.48 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.623 -179.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 57.07 36.95 28.34 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.491 0.662 . . . . 0.0 111.46 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 96.26 7.79 58.06 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.001 -1.095 . . . . 0.0 113.37 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -76.61 114.35 15.24 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -126.17 -172.31 2.59 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -102.42 174.57 5.85 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.717 178.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -69.6 102.69 1.91 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -92.82 -31.21 15.09 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.917 -176.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 C--N 1.32 -0.702 0 CA-C-O 118.409 -0.805 . . . . 0.0 110.02 -177.841 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 120.621 0.248 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -86.11 96.5 9.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.569 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.7 mp 55.18 -89.11 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.822 0.849 . . . . 0.0 112.654 177.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.88 -22.57 5.42 Favored Glycine 0 N--CA 1.443 -0.874 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p 64.64 -50.56 0.31 Allowed 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 125.201 1.4 . . . . 0.0 113.329 179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 62.26 42.06 9.76 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.696 0.76 . . . . 0.0 109.47 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.1 p -114.95 -149.26 0.44 Allowed 'General case' 0 N--CA 1.414 -2.24 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.135 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 55.65 32.31 19.03 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 122.907 0.483 . . . . 0.0 111.283 -178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.7 m 71.66 -68.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 123.857 0.863 . . . . 0.0 110.877 -178.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 54.13 -121.41 19.18 Favored Glycine 0 C--N 1.318 -0.465 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.515 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -108.68 13.47 25.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.823 0.344 . . . . 0.0 110.569 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.55 130.94 36.53 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.134 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.9 m -130.93 160.76 41.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.301 -177.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.6 t -109.12 112.93 42.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.198 177.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.624 HG22 ' SG ' ' A' ' 103' ' ' CYS . 21.4 t -99.74 130.22 49.15 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.893 -179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -147.76 172.06 14.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.437 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.44 2.21 56.61 Favored Glycine 0 C--O 1.226 -0.363 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.008 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.768 ' HB2' HD11 ' A' ' 22' ' ' ILE . 54.5 p90 -117.41 157.89 25.41 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.621 ' O ' HG12 ' A' ' 22' ' ' ILE . 57.1 ttp180 -125.04 153.39 42.93 Favored 'General case' 0 C--N 1.309 -1.19 0 C-N-CA 120.516 -0.474 . . . . 0.0 109.762 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -49.93 -32.6 15.17 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.13 -25.39 63.82 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -177.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.768 HD11 ' HB2' ' A' ' 18' ' ' TYR . 28.7 pt -88.35 30.78 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 O-C-N 122.073 -0.392 . . . . 0.0 110.995 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -43.9 -73.5 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -174.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -61.05 -40.36 93.35 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 112.897 0.702 . . . . 0.0 112.897 -177.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -52.63 -65.11 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.575 ' HB ' HD12 ' A' ' 22' ' ' ILE . 8.1 tt -73.24 -27.12 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.069 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.0 tp -61.8 -45.87 91.98 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 120.688 0.28 . . . . 0.0 110.632 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.13 -27.13 68.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.319 -0.401 . . . . 0.0 112.039 -177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -91.62 -49.13 6.46 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -177.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -90.83 -19.89 22.91 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -173.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 51' ' ' ARG . . . -65.28 -12.07 47.89 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -177.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -63.96 -30.25 71.34 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.802 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -123.33 -12.79 7.77 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.05 116.9 0.63 Allowed Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.943 179.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.616 ' OE2' ' HD3' ' A' ' 51' ' ' ARG . 41.6 mt-10 -73.28 119.81 18.03 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 120.966 0.412 . . . . 0.0 110.554 -179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.41 ' O ' ' HB2' ' A' ' 37' ' ' LEU . 8.8 mt -107.68 164.39 5.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.735 -178.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.483 ' O ' ' HG3' ' A' ' 38' ' ' GLU . 80.8 mt 71.82 -107.35 0.04 OUTLIER 'General case' 0 CA--C 1.528 0.109 0 C-N-CA 123.19 0.596 . . . . 0.0 111.577 179.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.484 ' CD ' ' HD3' ' A' ' 65' ' ' ARG . 45.9 mt-10 -164.13 -67.77 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.038 0.935 . . . . 0.0 109.231 -178.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.562 ' CG ' ' H ' ' A' ' 40' ' ' LEU . 17.5 t70 62.74 -169.82 0.18 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.277 -1.329 . . . . 0.0 111.426 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.562 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 0.3 OUTLIER -160.8 3.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -173.718 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -131.97 159.37 38.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.225 0.536 . . . . 0.0 111.201 -172.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.563 ' HA ' ' NH2' ' A' ' 51' ' ' ARG . 57.9 m -88.66 91.29 8.75 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.839 175.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -61.06 -48.67 80.67 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 121.747 0.784 . . . . 0.0 109.166 178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.478 ' HB3' ' OG1' ' A' ' 47' ' ' THR . 63.9 mt -89.03 105.08 17.55 Favored 'General case' 0 N--CA 1.421 -1.912 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.49 -66.17 1.53 Allowed Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.702 -175.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -64.71 -35.33 80.69 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 -177.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.478 ' OG1' ' HB3' ' A' ' 44' ' ' LEU . 19.6 p -83.07 -84.28 0.13 Allowed 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.441 177.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 66.39 -38.31 0.3 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.036 0.934 . . . . 0.0 112.719 178.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.403 ' H ' ' C ' ' A' ' 47' ' ' THR . 71.6 p -65.55 -28.09 68.91 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.298 0.571 . . . . 0.0 109.903 177.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 61.2 ttp -87.36 76.32 9.11 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.553 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.616 ' HD3' ' OE2' ' A' ' 35' ' ' GLU . 86.8 mtt180 -129.4 -140.75 0.24 Allowed 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 175.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.7 m -53.45 118.3 14.22 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.92 38.33 0.52 Allowed 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.735 2.957 . . . . 0.0 112.926 -175.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -144.25 -58.75 0.02 OUTLIER Glycine 0 N--CA 1.436 -1.345 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -157.24 165.96 34.48 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -92.35 147.33 23.0 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 123.627 0.579 . . . . 0.0 109.61 178.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.404 ' HB2' ' HA ' ' A' ' 66' ' ' ILE . 28.3 p90 -74.19 147.85 42.18 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.305 0.574 . . . . 0.0 112.414 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -122.22 115.55 22.58 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 175.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.664 ' HA ' ' O ' ' A' ' 65' ' ' ARG . 62.9 tt0 -66.36 -54.44 24.44 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -175.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 63.76 149.86 0.11 Allowed Pre-proline 0 C--N 1.314 -0.943 0 CA-C-N 115.302 -0.863 . . . . 0.0 112.256 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.45 100.96 0.82 Allowed 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.12 1.88 . . . . 0.0 112.655 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 56.3 34.65 24.45 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.468 177.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.401 ' HB3' ' H ' ' A' ' 64' ' ' ARG . 99.6 mtt180 -119.77 -153.31 0.53 Allowed 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 178.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.401 ' H ' ' HB3' ' A' ' 63' ' ' ARG . 89.0 mtm180 -55.88 101.02 0.05 OUTLIER 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 174.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.664 ' O ' ' HA ' ' A' ' 59' ' ' GLN . 71.8 mtt180 -63.39 -38.85 92.76 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -172.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.404 ' HA ' ' HB2' ' A' ' 57' ' ' PHE . 32.7 pt -120.57 -38.63 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-O 121.409 0.624 . . . . 0.0 109.64 175.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 t 170.94 -42.57 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 114.402 -1.272 . . . . 0.0 107.716 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.17 149.82 41.63 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.234 -1.348 . . . . 0.0 109.075 177.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.19 151.94 38.43 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.545 0.688 . . . . 0.0 112.526 -176.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -128.13 143.86 51.08 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.001 -0.999 . . . . 0.0 108.85 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.55 134.67 8.38 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.07 -1.062 . . . . 0.0 111.892 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 51.32 -90.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.1 p -132.58 18.67 4.3 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.955 -177.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.405 ' CG ' HD13 ' A' ' 114' ' ' LEU . 59.0 p-90 -135.2 143.44 46.4 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.993 0.425 . . . . 0.0 112.013 -178.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.2 t -144.66 148.5 34.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.598 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 76' ' ' LYS . 2.2 ttpm? -107.06 104.19 13.79 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 176.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 77' ' ' LEU . 2.6 pt? -115.23 154.99 28.04 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 121.216 0.531 . . . . 0.0 111.476 -177.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.8 m -103.1 123.53 46.83 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.817 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -92.56 -3.67 54.69 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 68.12 -48.81 0.54 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.002 0.921 . . . . 0.0 113.022 177.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -96.06 142.27 28.46 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.021 0.438 . . . . 0.0 110.889 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.537 ' O ' ' HB3' ' A' ' 85' ' ' TYR . 22.1 t60 -74.94 -25.35 58.82 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.847 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.7 m -60.44 -41.06 93.27 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.281 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.4 m -68.77 -24.23 64.41 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.952 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.537 ' HB3' ' O ' ' A' ' 82' ' ' HIS . 88.8 t80 -59.18 -46.99 86.97 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.589 -178.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -66.18 -42.36 88.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.807 0.337 . . . . 0.0 111.641 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 94.2 mtt180 -66.1 -40.91 91.12 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.22 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.2 -12.12 59.97 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.45 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.5 tp -63.73 -4.54 3.18 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 123.515 0.726 . . . . 0.0 111.864 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 87' ' ' ARG . 18.8 mmt180 -37.88 130.78 1.09 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.677 0.791 . . . . 0.0 111.838 178.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -136.4 -153.88 0.52 Allowed 'General case' 0 N--CA 1.438 -1.051 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.301 -177.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -55.19 124.09 15.83 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.828 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.37 -26.74 5.97 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.6 m -92.59 91.09 7.4 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.474 ' HA ' ' HA ' ' A' ' 100' ' ' ALA . 98.9 mt -94.08 125.52 46.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.426 -178.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -129.09 126.42 39.32 Favored 'General case' 0 N--CA 1.436 -1.155 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.823 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.0 t 66.95 9.98 7.29 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.048 0.539 . . . . 0.0 111.936 177.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.01 -9.49 21.0 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 120.28 -0.962 . . . . 0.0 113.589 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.38 153.14 51.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 117.068 0.434 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 95' ' ' ILE . . . -89.2 129.52 35.77 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.818 0.342 . . . . 0.0 110.834 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 40.4 pt -89.26 142.29 13.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.909 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -120.82 123.89 5.7 Favored Glycine 0 N--CA 1.435 -1.408 0 C-N-CA 120.318 -0.944 . . . . 0.0 112.552 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.624 ' SG ' HG22 ' A' ' 15' ' ' VAL . 49.6 t -130.18 125.78 35.82 Favored 'General case' 0 N--CA 1.433 -1.275 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 177.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.439 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 30.7 m -134.14 160.94 66.58 Favored Pre-proline 0 C--N 1.312 -1.024 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.538 -179.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 18.9 Cg_endo -60.13 153.09 61.01 Favored 'Trans proline' 0 C--O 1.239 0.569 0 C-N-CA 122.439 2.093 . . . . 0.0 111.305 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -55.21 124.68 17.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.174 0.512 . . . . 0.0 111.959 -178.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -134.75 138.29 44.21 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.241 176.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -65.55 -41.45 92.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.621 -176.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -64.85 -40.27 94.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.634 -177.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 58.0 tp -60.77 -46.42 90.54 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 120.805 0.336 . . . . 0.0 110.365 -179.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.8 mm -64.99 -43.25 96.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.641 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 36.0 m -61.1 -46.81 89.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.991 -178.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -68.2 -36.96 80.38 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.14 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 110' ' ' LEU . 93.3 mt -63.55 -42.76 98.35 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.884 177.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.9 m -71.23 -43.29 67.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.747 -0.66 . . . . 0.0 112.476 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 116' ' ' ARG . 55.5 mmt-85 -68.23 -36.75 79.98 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -178.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 61.77 64.6 1.01 Allowed 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.385 0.612 . . . . 0.0 110.811 179.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -141.96 -147.03 4.77 Favored Glycine 0 N--CA 1.429 -1.82 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.502 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -153.32 153.0 31.76 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 -178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 70.8 m80 -73.26 -17.5 61.33 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 120.834 0.35 . . . . 0.0 111.887 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -110.39 139.93 45.1 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -118.35 16.43 13.9 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.399 0.619 . . . . 0.0 110.191 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -78.36 101.51 7.26 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.683 178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.675 -0.679 . . . . 0.0 110.978 -179.514 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 p -71.52 132.03 44.12 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 43.4 tp 50.2 76.54 0.14 Allowed 'General case' 0 CA--C 1.533 0.3 0 O-C-N 123.865 0.728 . . . . 0.0 111.638 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.99 131.74 10.39 Favored Glycine 0 N--CA 1.441 -0.971 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 p -80.19 146.6 31.67 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 120.993 0.425 . . . . 0.0 111.592 -178.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -97.64 4.95 50.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.436 0.636 . . . . 0.0 110.079 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.2 t -94.85 22.66 6.2 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.626 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -94.79 15.18 19.08 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.007 0.432 . . . . 0.0 111.575 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.3 m -62.46 -47.78 82.51 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.673 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.13 -130.37 38.51 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.978 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -108.47 13.69 25.24 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.734 0.302 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.91 129.92 34.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.938 0.399 . . . . 0.0 111.196 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -116.1 153.97 17.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.209 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.3 t -111.74 118.14 56.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.038 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.514 HG13 ' SG ' ' A' ' 103' ' ' CYS . 3.0 t -113.23 130.19 67.61 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -144.08 169.2 18.31 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.743 -178.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.59 19.52 12.1 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.314 -0.946 . . . . 0.0 112.867 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.613 ' HB2' HD11 ' A' ' 22' ' ' ILE . 16.3 p90 -135.88 158.48 44.31 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 122.304 0.242 . . . . 0.0 110.402 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 55.2 ttm-85 -102.29 158.31 16.28 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.559 ' HA ' HD21 ' A' ' 37' ' ' LEU . 33.4 tt0 -67.72 -4.34 11.95 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 123.091 0.556 . . . . 0.0 111.968 -175.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.65 -13.76 29.07 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.613 HD11 ' HB2' ' A' ' 18' ' ' TYR . 13.3 pt -99.42 30.98 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.811 -177.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.612 HG23 ' HB2' ' A' ' 37' ' ' LEU . 6.9 m -60.34 -52.17 66.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -173.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -63.45 -40.88 98.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.125 0.488 . . . . 0.0 110.652 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -62.55 -56.91 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.719 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.2 tt -69.02 -30.71 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.94 -176.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.474 ' O ' ' HB2' ' A' ' 31' ' ' ALA . 53.1 tp -62.33 -45.45 93.15 Favored 'General case' 0 C--O 1.206 -1.19 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.039 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -22.79 65.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.03 0.443 . . . . 0.0 111.54 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -86.78 -47.04 9.42 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.722 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -93.99 -4.93 48.75 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 27' ' ' LEU . . . -48.39 -27.22 2.47 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 114.052 1.131 . . . . 0.0 114.052 -174.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -61.73 -30.75 70.98 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.098 0.475 . . . . 0.0 110.75 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -158.89 53.32 0.41 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.455 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.59 124.35 0.94 Allowed Glycine 0 C--N 1.337 0.586 0 C-N-CA 119.845 -1.169 . . . . 0.0 113.807 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' HB2' ' HB2' ' A' ' 57' ' ' PHE . 83.1 tt0 -102.3 90.0 3.76 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 176.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.06 128.05 43.94 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.838 -171.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.612 ' HB2' HG23 ' A' ' 23' ' ' THR . 10.0 mp 64.67 -169.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.111 177.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -124.08 16.63 9.23 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -173.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -121.49 80.87 1.72 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.664 0.745 . . . . 0.0 110.67 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.4 mt -87.87 -68.12 0.78 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.787 -175.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 54.97 -92.48 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.99 0.916 . . . . 0.0 112.488 -179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.7 m -91.85 102.3 14.89 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.496 ' HB3' HD12 ' A' ' 44' ' ' LEU . 27.3 mt-10 -100.2 -105.81 0.23 Allowed 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.075 -174.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.73 ' HB2' ' OE1' ' A' ' 48' ' ' GLU . 3.3 mp -118.66 -74.13 0.62 Allowed 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.474 -176.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.18 -169.78 13.2 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.987 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -105.01 -1.41 25.77 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.716 0.293 . . . . 0.0 111.447 -178.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.1 t -83.25 0.62 44.77 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.709 0.766 . . . . 0.0 109.807 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.73 ' OE1' ' HB2' ' A' ' 44' ' ' LEU . 47.8 mt-10 -89.57 26.44 1.72 Allowed 'General case' 0 N--CA 1.434 -1.263 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.765 -177.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.404 ' HA ' ' HB3' ' A' ' 61' ' ' PRO . 7.7 m -63.43 -32.15 73.51 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 172.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 60.9 ttp -104.98 89.42 3.14 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-N 114.175 -1.375 . . . . 0.0 109.894 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.747 ' HB3' ' O ' ' A' ' 57' ' ' PHE . 84.4 mtt180 -118.14 140.58 49.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.603 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.579 ' OG1' ' HD2' ' A' ' 53' ' ' PRO . 1.9 t 168.94 158.62 0.17 Allowed Pre-proline 0 C--O 1.242 0.663 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -176.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.632 ' HG3' ' O ' ' A' ' 79' ' ' TYR . 5.8 Cg_exo -45.0 128.31 9.16 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 123.286 2.657 . . . . 0.0 112.068 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.58 -20.86 38.35 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -178.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -115.98 -68.16 0.94 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.48 ' HB2' ' HG2' ' A' ' 51' ' ' ARG . 93.5 m-85 -153.06 -163.13 1.62 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.747 ' O ' ' HB3' ' A' ' 51' ' ' ARG . 24.8 p90 -76.37 149.64 36.93 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.724 176.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.659 ' O ' ' HD3' ' A' ' 65' ' ' ARG . 4.9 pm0 -63.68 15.05 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.042 0 N-CA-C 115.71 1.745 . . . . 0.0 115.71 -172.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.519 ' CG ' ' HA ' ' A' ' 64' ' ' ARG . 1.3 tm0? -71.09 140.22 50.6 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.335 0.588 . . . . 0.0 111.033 -178.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.533 ' HB2' ' HD2' ' A' ' 65' ' ' ARG . . . -83.13 146.17 50.84 Favored Pre-proline 0 C--N 1.306 -1.317 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.896 178.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.404 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 17.5 Cg_endo -56.99 -24.62 58.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.592 2.194 . . . . 0.0 112.898 -177.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -88.42 -50.85 6.06 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.696 -0.401 . . . . 0.0 111.923 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -138.95 156.3 47.35 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.519 ' HA ' ' CG ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -59.03 139.59 56.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.098 173.369 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.659 ' HD3' ' O ' ' A' ' 58' ' ' GLN . 65.6 mtp180 -111.17 4.63 19.43 Favored 'General case' 0 CA--C 1.5 -0.964 0 C-N-CA 121.006 -0.277 . . . . 0.0 111.55 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.779 HG23 ' H ' ' A' ' 67' ' ' SER . 6.3 tt -50.64 -72.58 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 O-C-N 123.67 0.606 . . . . 0.0 110.679 178.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.779 ' H ' HG23 ' A' ' 66' ' ' ILE . 17.1 t 46.01 21.78 0.11 Allowed 'General case' 0 CA--C 1.561 1.383 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 177.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -83.35 147.52 27.87 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 122.027 -0.421 . . . . 0.0 110.652 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -75.22 111.56 10.59 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-O 121.332 0.587 . . . . 0.0 110.154 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.492 ' HA ' ' CZ3' ' A' ' 74' ' ' TRP . 6.1 p-80 -148.78 167.64 25.06 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.114 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.09 -140.55 8.35 Favored Glycine 0 N--CA 1.435 -1.432 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -104.41 146.29 29.05 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 18' ' ' TYR . 30.5 p 72.19 -11.2 0.81 Allowed 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 124.625 1.17 . . . . 0.0 113.184 -178.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.492 ' CZ3' ' HA ' ' A' ' 70' ' ' HIS . 60.3 p-90 -134.46 129.53 35.36 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.969 0.414 . . . . 0.0 111.037 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.522 ' HB ' ' OH ' ' A' ' 18' ' ' TYR . 53.0 m -135.67 134.79 39.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.253 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -93.59 128.47 39.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.666 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 83.6 mt -112.47 119.75 39.28 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.794 0.331 . . . . 0.0 111.72 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.0 m -114.37 126.32 54.86 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.833 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.632 ' O ' ' HG3' ' A' ' 53' ' ' PRO . 25.5 m-85 -113.89 -4.2 13.32 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.589 0.356 . . . . 0.0 110.298 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 70.22 -5.28 1.36 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.269 0.628 . . . . 0.0 112.003 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -129.03 142.51 50.89 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-O 120.745 0.307 . . . . 0.0 111.222 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.5 p-80 -73.92 -19.19 60.77 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.945 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.3 m -60.36 -43.88 96.11 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.158 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 t -79.06 -25.0 43.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.8 t80 -59.24 -48.66 80.8 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.454 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.2 tp -64.18 -42.53 96.64 Favored 'General case' 0 N--CA 1.43 -1.462 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.359 -176.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -69.82 -36.75 75.87 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.25 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.15 -12.12 60.5 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.427 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.9 tp -60.28 -39.83 88.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.652 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 56.75 -120.65 1.44 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.362 -0.836 . . . . 0.0 112.113 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 54.48 41.74 31.77 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 121.928 0.87 . . . . 0.0 110.341 -178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -120.8 44.59 2.45 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.13 178.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.67 38.93 50.01 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.568 -0.825 . . . . 0.0 111.415 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.8 m -83.49 98.5 9.57 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.251 0.548 . . . . 0.0 111.638 -176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 94.8 mt -109.16 125.53 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.527 178.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -132.67 131.71 41.6 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 93.5 m 63.81 20.99 12.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.003 0.43 . . . . 0.0 111.756 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.18 -5.89 61.39 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.706 -0.759 . . . . 0.0 114.031 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -134.2 152.81 52.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 117.459 0.63 . . . . 0.0 111.22 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -88.43 134.82 33.73 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.1 pt -91.83 150.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.744 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -98.61 128.29 9.52 Favored Glycine 0 N--CA 1.441 -1.016 0 C-N-CA 120.172 -1.013 . . . . 0.0 111.77 -178.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.514 ' SG ' HG13 ' A' ' 15' ' ' VAL . 35.0 m -131.7 111.38 11.62 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.415 ' HB ' ' HD2' ' A' ' 105' ' ' PRO . 19.5 m -139.6 159.27 66.08 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.906 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.415 ' HD2' ' HB ' ' A' ' 104' ' ' VAL . 21.9 Cg_endo -61.83 150.45 85.98 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.658 2.239 . . . . 0.0 111.7 177.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.517 ' CE1' HG13 ' A' ' 111' ' ' ILE . 73.3 t80 -56.46 117.73 4.12 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.227 0.536 . . . . 0.0 111.753 -177.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.485 ' O ' HG12 ' A' ' 111' ' ' ILE . 64.3 mttp -114.84 137.05 52.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.506 177.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -65.03 -46.08 82.82 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.616 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -67.81 -37.55 82.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.215 -178.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 64.5 tp -61.01 -44.64 97.13 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.972 0.415 . . . . 0.0 110.151 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.517 HG13 ' CE1' ' A' ' 106' ' ' TYR . 46.6 mm -63.66 -38.59 82.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.583 177.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.526 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 7.3 t -58.26 -45.86 87.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.442 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -66.55 -42.64 86.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.075 0.464 . . . . 0.0 110.515 178.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 74' ' ' TRP . 93.3 mt -63.58 -41.02 98.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.931 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.0 t -63.92 -24.26 67.66 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.486 -178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 112' ' ' SER . 28.7 mmt180 -66.44 -35.15 79.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.678 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 61.55 32.17 18.75 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.426 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -96.13 31.64 7.17 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.703 -0.761 . . . . 0.0 111.523 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 70.49 143.2 0.05 Allowed 'General case' 0 C--N 1.349 0.562 0 C-N-CA 123.77 0.828 . . . . 0.0 110.512 -178.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -64.29 120.55 12.4 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -62.91 133.18 54.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.002 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -65.36 108.02 1.82 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.349 0.595 . . . . 0.0 110.143 179.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -78.15 107.61 10.85 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.879 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 11.8 t60 . . . . . 0 C--N 1.313 -0.984 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.724 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 120.392 0.139 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -67.99 -41.5 82.22 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -178.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.51 ' H ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -127.42 140.08 52.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.162 0.506 . . . . 0.0 112.125 -178.56 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.95 -38.33 2.03 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.603 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 p -154.55 137.49 15.44 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -91.32 71.58 6.13 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-O 121.616 0.722 . . . . 0.0 110.052 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.1 p -126.75 -171.59 2.44 Favored 'General case' 0 N--CA 1.4 -2.937 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -105.73 27.79 8.13 Favored 'General case' 0 C--N 1.285 -2.214 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.128 -178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.2 m -78.33 56.42 1.72 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 121.298 0.571 . . . . 0.0 111.294 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -112.08 -14.82 10.49 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.864 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.46 ' ND2' ' HA ' ' A' ' 80' ' ' ALA . 31.2 p-10 -106.45 17.66 23.04 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.143 0.497 . . . . 0.0 110.903 -179.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.37 144.58 46.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.208 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.9 m -128.73 162.44 35.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.212 -179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.17 119.88 53.59 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.461 HG13 ' SG ' ' A' ' 103' ' ' CYS . 20.3 t -102.35 127.21 56.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -144.86 164.43 31.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.545 0.212 . . . . 0.0 111.462 -178.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.69 23.06 7.02 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 121.199 -0.524 . . . . 0.0 112.761 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.693 ' HB2' HD11 ' A' ' 22' ' ' ILE . 26.7 p90 -147.15 167.22 24.7 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 122.727 0.411 . . . . 0.0 110.287 -177.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -118.91 158.99 24.62 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.602 ' HA ' HD22 ' A' ' 37' ' ' LEU . 39.1 tt0 -78.08 46.35 0.59 Allowed 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.903 0.859 . . . . 0.0 111.108 -176.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.99 -7.75 3.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.502 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.693 HD11 ' HB2' ' A' ' 18' ' ' TYR . 30.8 pt -106.91 34.54 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.434 -177.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.483 HG21 ' HA ' ' A' ' 39' ' ' ASP . 23.2 m -50.94 -73.67 0.04 OUTLIER 'General case' 0 C--O 1.218 -0.565 0 O-C-N 123.364 0.415 . . . . 0.0 112.039 -176.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.635 ' HD3' ' OE1' ' A' ' 43' ' ' GLU . 40.4 mmtm -50.58 -34.88 27.47 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.277 0.631 . . . . 0.0 112.078 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.474 ' HB3' ' OH ' ' A' ' 96' ' ' TYR . 59.7 mt-30 -66.61 -71.59 0.19 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.962 -176.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.62 ' HB ' HD12 ' A' ' 22' ' ' ILE . 16.9 tt -70.37 -31.92 48.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -175.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.595 HD13 ' H ' ' A' ' 36' ' ' ILE . 45.9 tp -60.99 -37.29 81.96 Favored 'General case' 0 C--O 1.211 -0.974 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.735 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.521 ' HA ' HD21 ' A' ' 44' ' ' LEU . . . -54.42 -25.73 26.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -90.83 -46.35 8.26 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -94.94 -10.18 31.85 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -174.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.536 ' HA ' ' O ' ' A' ' 34' ' ' GLY . . . -55.36 -34.58 64.41 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -173.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -64.59 -20.65 66.38 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 120.762 0.315 . . . . 0.0 111.226 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -120.49 -5.88 9.79 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.621 ' HA3' HD21 ' A' ' 77' ' ' LEU . . . 171.74 158.1 15.07 Favored Glycine 0 C--O 1.224 -0.527 0 C-N-CA 120.532 -0.842 . . . . 0.0 112.592 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.471 ' OE1' ' HD2' ' A' ' 51' ' ' ARG . 24.2 mm-40 -100.82 143.03 31.47 Favored 'General case' 0 C--O 1.237 0.395 0 O-C-N 122.626 -0.338 . . . . 0.0 111.041 -177.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.623 HG22 ' HG ' ' A' ' 37' ' ' LEU . 62.4 mt -132.2 133.84 60.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.027 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.623 ' HG ' HG22 ' A' ' 36' ' ' ILE . 70.4 mt 72.98 -177.71 0.19 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.403 0.681 . . . . 0.0 112.806 177.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -81.51 93.48 6.68 Favored 'General case' 0 CA--C 1.512 -0.518 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.948 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.483 ' HA ' HG21 ' A' ' 23' ' ' THR . 0.2 OUTLIER -88.67 171.4 10.04 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.076 177.551 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.718 ' HG ' ' OE2' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -135.7 30.96 3.1 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.335 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 40' ' ' LEU . 38.2 tt0 85.24 -53.0 0.09 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.413 0.685 . . . . 0.0 112.543 172.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.535 ' O ' ' HE3' ' A' ' 24' ' ' LYS . 37.3 m -90.18 86.72 6.61 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 177.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.718 ' OE2' ' HG ' ' A' ' 40' ' ' LEU . 59.1 mm-40 -118.63 -34.58 3.95 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.031 -173.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.557 ' HB2' ' HB2' ' A' ' 48' ' ' GLU . 62.3 mt -115.06 -165.98 1.07 Allowed 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.486 -175.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.3 -108.12 1.87 Allowed Glycine 0 N--CA 1.439 -1.116 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.47 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -64.99 -36.89 85.85 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.883 0.373 . . . . 0.0 111.594 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.465 ' O ' HG22 ' A' ' 47' ' ' THR . 9.8 m -94.72 29.93 2.19 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.681 0.753 . . . . 0.0 111.649 -177.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.557 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 42.0 tt0 -87.68 -10.26 51.79 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.255 0.55 . . . . 0.0 110.869 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 p -67.36 -22.07 65.59 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 62.9 ttp -121.31 92.57 3.78 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.789 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.471 ' HD2' ' OE1' ' A' ' 35' ' ' GLU . 26.4 mtm180 -125.6 137.47 53.9 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.768 173.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 53' ' ' PRO . 0.2 OUTLIER 61.69 120.21 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 123.946 0.898 . . . . 0.0 111.562 -176.206 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.7 ' HG2' ' O ' ' A' ' 79' ' ' TYR . 36.4 Cg_exo -62.19 -19.32 66.27 Favored 'Trans proline' 0 C--N 1.326 -0.63 0 C-N-CA 123.419 2.746 . . . . 0.0 111.508 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -80.03 3.62 70.1 Favored Glycine 0 C--N 1.308 -1.01 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.588 178.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 73.38 87.29 0.1 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 124.068 0.947 . . . . 0.0 112.631 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 61.73 119.59 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 176.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -62.24 -45.07 94.96 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.563 -1.199 . . . . 0.0 111.168 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 62.66 99.0 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.982 0.913 . . . . 0.0 111.374 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -65.5 -38.5 89.92 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.499 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.418 ' HB1' HH11 ' A' ' 63' ' ' ARG . . . 58.08 104.34 0.03 OUTLIER Pre-proline 0 C--N 1.313 -0.999 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.941 -176.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.51 ' O ' ' HB3' ' A' ' 62' ' ' ASN . 51.7 Cg_exo -54.12 139.46 71.51 Favored 'Trans proline' 0 C--O 1.238 0.503 0 C-N-CA 122.234 1.956 . . . . 0.0 112.256 -177.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.51 ' HB3' ' O ' ' A' ' 61' ' ' PRO . 21.3 t-20 80.64 -15.49 0.74 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.047 0.939 . . . . 0.0 111.416 -177.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.422 ' HB3' ' H ' ' A' ' 64' ' ' ARG . 67.2 mtt85 -104.54 -158.74 0.68 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.491 0.663 . . . . 0.0 112.153 -177.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.422 ' H ' ' HB3' ' A' ' 63' ' ' ARG . 29.7 mtm180 -78.99 116.9 19.58 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.786 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.6 mtm180 -64.69 -40.51 95.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.952 0.406 . . . . 0.0 110.872 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.2 tt -112.38 116.0 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-O 121.427 0.632 . . . . 0.0 109.755 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.8 t -84.17 55.73 3.45 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-O 121.705 0.764 . . . . 0.0 109.534 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -143.07 151.0 40.3 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.385 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HB3' ' HE2' ' A' ' 76' ' ' LYS . 43.7 tt0 -74.89 123.27 24.77 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.099 0.476 . . . . 0.0 110.509 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -139.65 155.8 47.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.043 -177.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -111.08 -114.82 3.51 Favored Glycine 0 N--CA 1.44 -1.047 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 177.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -105.57 -72.25 0.72 Allowed 'General case' 0 CA--C 1.509 -0.606 0 CA-C-O 120.961 0.41 . . . . 0.0 111.018 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.6 p -105.09 11.44 33.26 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.145 -178.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -142.73 152.54 42.45 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.673 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.454 HG22 ' OH ' ' A' ' 18' ' ' TYR . 12.2 t -143.49 146.39 33.36 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 69' ' ' GLU . 36.8 ttpt -85.35 103.17 14.02 Favored 'General case' 0 N--CA 1.437 -1.114 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 174.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.621 HD21 ' HA3' ' A' ' 34' ' ' GLY . 3.8 tt -95.55 121.45 37.25 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.423 0.63 . . . . 0.0 110.142 -173.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.415 ' N ' HD23 ' A' ' 77' ' ' LEU . 46.2 m -95.66 96.72 9.21 Favored 'General case' 0 N--CA 1.424 -1.736 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.721 178.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.7 ' O ' ' HG2' ' A' ' 53' ' ' PRO . 89.7 m-85 -72.36 -26.76 62.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.066 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.46 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . . . 73.18 -53.51 0.7 Allowed 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.261 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.405 HD21 ' HB3' ' A' ' 84' ' ' SER . 0.2 OUTLIER -73.25 138.86 45.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.059 0.457 . . . . 0.0 111.441 178.802 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -80.99 -22.22 39.65 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.393 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.1 p -61.37 -45.93 92.31 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.811 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.405 ' HB3' HD21 ' A' ' 81' ' ' ASN . 35.5 t -86.7 -11.94 49.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.85 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.22 -47.14 87.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.951 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.16 -40.28 94.1 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.672 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -65.08 -22.59 66.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.585 -177.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.526 ' O ' ' HB2' ' A' ' 103' ' ' CYS . . . -64.55 -21.35 66.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.564 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.26 -6.71 51.19 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.726 -178.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.463 HH12 HG21 ' A' ' 94' ' ' THR . 8.0 ptm180 -46.56 124.02 5.54 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-O 121.234 0.54 . . . . 0.0 111.286 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -128.37 -6.01 5.35 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.499 -176.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 50.9 p-80 -61.49 100.54 0.14 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -175.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 38.53 65.42 0.74 Allowed Glycine 0 N--CA 1.472 1.066 0 CA-C-N 115.114 -0.948 . . . . 0.0 114.688 175.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.551 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 23.3 m -116.79 90.12 3.26 Favored 'General case' 0 C--N 1.317 -0.836 0 C-N-CA 120.136 -0.626 . . . . 0.0 111.89 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 93.4 mt -106.34 119.39 55.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 175.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.474 ' OH ' ' HB3' ' A' ' 25' ' ' GLN . 9.1 t80 -137.19 133.37 35.1 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -177.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 19.9 t 67.51 16.43 9.94 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.16 0.505 . . . . 0.0 110.927 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 108.06 -17.03 35.48 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.929 177.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.36 159.26 42.44 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.523 0.662 . . . . 0.0 111.605 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' A' ' 94' ' ' THR . . . -76.53 138.02 39.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.779 177.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 45.2 pt -97.25 139.76 19.04 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 C-N-CA 120.829 -0.349 . . . . 0.0 110.208 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -127.27 144.14 14.86 Favored Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.404 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' CYS . . . . . 0.526 ' HB2' ' O ' ' A' ' 88' ' ' ALA . 49.6 m -131.33 103.42 6.44 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.0 m -115.15 159.73 36.74 Favored Pre-proline 0 C--N 1.314 -0.94 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.2 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -59.45 147.41 91.47 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.432 2.088 . . . . 0.0 111.384 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -57.39 122.87 13.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.258 0.552 . . . . 0.0 111.903 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -128.3 132.74 48.65 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 115.155 -0.93 . . . . 0.0 108.914 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -66.05 -40.95 91.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.031 0.444 . . . . 0.0 110.183 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -62.66 -36.64 83.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.733 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.464 ' O ' HD13 ' A' ' 114' ' ' LEU . 49.8 tp -62.75 -44.14 96.98 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.283 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 45.1 mm -63.16 -45.7 97.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.215 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.0 m -61.3 -40.05 92.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.18 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.56 -50.66 70.44 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.881 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.464 HD13 ' O ' ' A' ' 110' ' ' LEU . 11.3 mp -63.49 -38.01 89.48 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.628 178.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 34.2 t -60.56 -43.81 96.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.593 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -80.13 -6.17 57.26 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-O 120.903 0.382 . . . . 0.0 110.811 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 64.56 22.46 12.67 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.885 0.874 . . . . 0.0 112.088 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 77.97 -27.74 1.96 Allowed Glycine 0 CA--C 1.523 0.587 0 CA-C-N 115.788 -0.642 . . . . 0.0 114.235 176.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -85.58 116.46 23.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.037 0.446 . . . . 0.0 111.199 -177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -135.0 78.62 1.75 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.822 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -165.25 134.92 3.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.429 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -140.32 167.87 21.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.362 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -88.09 114.81 25.07 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 56.4 t60 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.082 -177.979 . . . . . . . . 0 0 . 1 stop_ save_