data_5fzw_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 5fzw _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.406 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 55.6 mt 76.84 154.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 123.587 0.554 . . . . 0.0 111.131 176.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 5' ' ' SER . 42.3 tt0 78.21 139.96 0.07 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.967 0.907 . . . . 0.0 110.418 -177.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 50.8 m 73.98 167.31 0.3 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.168 0.587 . . . . 0.0 110.578 -175.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.9 mt -143.2 85.94 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-O 121.131 0.491 . . . . 0.0 111.303 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.421 ' HB1' ' HA ' ' A' ' 20' ' ' ASP . . . -94.03 160.77 14.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.001 173.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -130.3 112.99 13.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.887 0.851 . . . . 0.0 112.191 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mmm -116.45 143.87 45.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.319 -1.31 . . . . 0.0 108.948 171.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.445 ' H ' HD13 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -71.35 163.63 27.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.349 -175.644 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -61.75 127.65 32.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.744 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.95 1.02 63.42 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.901 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.445 HD13 ' H ' ' A' ' 10' ' ' GLN . 16.4 mt -94.84 154.45 39.82 Favored Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 122.625 -0.338 . . . . 0.0 110.48 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -66.94 123.43 10.98 Favored 'Trans proline' 0 CA--C 1.521 -0.162 0 C-N-CA 122.884 2.389 . . . . 0.0 112.267 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.594 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 13.7 p -131.38 138.57 49.19 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.9 mmt -118.23 -19.89 8.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.541 0.686 . . . . 0.0 109.762 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -107.47 131.09 54.68 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.275 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -55.65 -34.48 65.0 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.231 -171.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.9 m -88.58 -0.36 7.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.54 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.421 ' HA ' ' HB1' ' A' ' 7' ' ' ALA . 19.4 t70 -66.3 -18.67 65.49 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.779 0.8 . . . . 0.0 110.238 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.51 137.26 35.86 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.043 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -25.45 62.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.976 -175.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -93.5 -6.81 45.98 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 111.295 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.87 27.84 68.09 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 114.28 0.472 . . . . 0.0 114.28 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.6 t -126.56 109.0 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 118.031 0.915 . . . . 0.0 111.833 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.1 m -106.36 127.15 53.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.398 170.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -147.87 128.52 14.19 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 m 57.66 69.42 0.74 Allowed 'General case' 0 C--N 1.343 0.316 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.594 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 93.5 mt -41.09 88.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 123.158 1.456 . . . . 0.0 114.188 -139.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -152.09 149.12 28.46 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 111.588 -2.551 . . . . 0.0 105.603 164.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.4 m -57.86 110.32 0.89 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.155 0.502 . . . . 0.0 110.945 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.525 HD13 ' CE2' ' A' ' 33' ' ' TYR . 2.1 tm? -72.65 -44.05 62.4 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.979 -174.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 1.633 ' HD2' ' CD1' ' A' ' 33' ' ' TYR . 75.7 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.049 -0.976 . . . . 0.0 109.428 175.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.4 mt 68.6 67.33 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 109.982 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -146.24 -55.53 0.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.188 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 p -118.1 125.23 49.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.801 -175.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.6 mt -98.43 44.73 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-O 121.742 0.782 . . . . 0.0 111.58 -168.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.733 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -94.32 143.08 26.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 167.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.478 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 14.1 p -133.82 148.01 51.28 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.199 -1.001 . . . . 0.0 113.349 -171.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 81.3 mmm -100.79 142.94 31.55 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.1 -1.409 . . . . 0.0 108.166 172.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -76.91 175.67 9.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.78 0.324 . . . . 0.0 111.794 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -47.52 129.72 13.53 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.869 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.25 9.01 70.71 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 113.992 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.6 mt -114.46 152.38 46.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 117.682 0.741 . . . . 0.0 111.309 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.403 ' O ' ' HG3' ' A' ' 9' ' ' MET . 15.4 Cg_exo -66.7 132.03 27.59 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.289 2.66 . . . . 0.0 112.472 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 21.8 p -138.5 128.6 25.6 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.401 ' HA ' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -112.26 1.96 16.37 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.527 0.68 . . . . 0.0 110.685 -173.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' CG ' ' HB2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -126.35 138.45 53.57 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.042 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -49.51 -47.67 48.64 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -171.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.435 HG23 ' OE2' ' A' ' 17' ' ' GLU . 35.6 m -87.93 0.43 7.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.842 -178.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.733 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 28.3 t70 -72.29 -4.47 29.84 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.416 0.626 . . . . 0.0 109.769 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.401 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 50.3 t -99.08 134.84 41.35 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 170.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.478 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 72.0 m -67.85 -10.26 51.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.693 0.282 . . . . 0.0 111.091 178.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -101.28 -0.97 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.753 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.17 -2.4 65.93 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 114.61 0.604 . . . . 0.0 114.61 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.8 t -120.19 108.92 24.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 117.854 0.827 . . . . 0.0 111.564 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 86.2 m -107.41 109.14 20.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.167 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -136.79 130.95 32.68 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m 58.11 68.34 0.85 Allowed 'General case' 0 C--N 1.343 0.313 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 -175.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 86.3 mt -41.28 88.48 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 123.015 1.388 . . . . 0.0 113.733 -140.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.601 ' HE1' ' CE2' ' A' ' 30' ' ' PHE . 46.2 m-85 -152.2 165.14 35.77 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 111.489 -2.596 . . . . 0.0 105.076 166.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.9 m -57.69 112.43 1.45 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.05 169.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.405 HD13 ' CE2' ' A' ' 33' ' ' TYR . 3.1 tm? -65.01 -36.56 84.81 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.878 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.405 ' CE2' HD13 ' A' ' 32' ' ' LEU . 85.0 m-85 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.364 -0.827 . . . . 0.0 109.856 175.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 17' ' ' GLU . 9.3 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 55.1 mt 62.92 80.45 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 121.19 0.519 . . . . 0.0 110.423 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -135.69 -71.87 0.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.513 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -170.93 53.82 0.03 OUTLIER 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 111.816 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.1 mt -124.28 134.93 65.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.691 0.281 . . . . 0.0 110.409 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.21 158.44 19.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 74.0 m -57.74 140.35 51.69 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -173.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.605 ' HG3' ' SG ' ' A' ' 31' ' ' CYS . 8.1 ptp -120.19 165.49 14.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.09 169.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -90.88 171.86 9.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.12 0.486 . . . . 0.0 111.739 -173.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -58.53 129.42 41.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.442 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.91 -3.61 58.78 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.488 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.433 ' HB3' ' SD ' ' A' ' 9' ' ' MET . 11.1 mp -94.07 154.39 40.64 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 117.378 0.589 . . . . 0.0 110.51 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.42 119.38 5.22 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.06 2.507 . . . . 0.0 112.085 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.508 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 29.8 p -106.97 154.72 20.67 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -175.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.2 mmt -120.75 -33.16 3.85 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.405 -0.518 . . . . 0.0 112.048 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' OE2' HG23 ' A' ' 19' ' ' VAL . 9.2 pt-20 -120.9 170.75 9.19 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.197 177.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -58.45 -47.62 83.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG23 ' OE2' ' A' ' 17' ' ' GLU . 18.9 m -87.21 3.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -174.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.443 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 38.0 t0 -59.23 -34.71 72.53 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.735 0.779 . . . . 0.0 109.308 -177.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 62.4 m -99.06 136.11 39.5 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -11.58 56.15 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -174.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -83.12 -16.22 47.68 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.508 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.3 15.77 63.76 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.063 -0.589 . . . . 0.0 114.514 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.0 t -126.59 110.35 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 118.519 1.159 . . . . 0.0 111.795 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 t -106.26 121.86 45.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.868 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -154.34 141.85 19.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 118.948 -0.549 . . . . 0.0 109.778 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.5 m 53.2 66.79 1.13 Allowed 'General case' 0 C--N 1.347 0.496 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 3.1 mm? -41.37 86.74 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 122.748 1.261 . . . . 0.0 113.287 -137.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.669 ' HE1' ' CE2' ' A' ' 30' ' ' PHE . 45.0 m-85 -153.17 154.87 35.6 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 112.169 -2.287 . . . . 0.0 106.054 167.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.605 ' SG ' ' HG3' ' A' ' 9' ' ' MET . 67.1 m -55.68 105.27 0.17 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.074 0.464 . . . . 0.0 110.641 174.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.448 HD13 ' CE2' ' A' ' 33' ' ' TYR . 2.5 tm? -64.72 -40.3 95.1 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.599 -176.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 1.655 ' HD1' ' CD2' ' A' ' 33' ' ' TYR . 71.9 m-85 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.025 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.405 HD13 ' N ' ' A' ' 2' ' ' LEU . 5.6 mp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.516 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 51.3 mt 61.18 74.25 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 121.439 0.637 . . . . 0.0 110.798 -176.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -150.89 -40.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.892 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 t -126.97 119.22 26.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.169 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.8 mt -94.08 77.36 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.392 0.615 . . . . 0.0 111.577 -171.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.421 ' HB1' ' OD1' ' A' ' 20' ' ' ASP . . . -94.64 159.77 14.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 168.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 t -121.56 115.18 22.32 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.898 177.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.9 mmm -94.53 151.21 19.52 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.911 172.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.516 ' H ' HD13 ' A' ' 13' ' ' LEU . 15.1 mm100 -73.9 170.36 15.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.602 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -64.42 130.41 43.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.14 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.98 3.84 85.04 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.007 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.516 HD13 ' H ' ' A' ' 10' ' ' GLN . 11.5 mt -97.66 155.4 37.25 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 117.145 0.472 . . . . 0.0 110.673 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.57 121.54 8.64 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.903 2.402 . . . . 0.0 111.854 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 22.2 p -123.58 135.52 54.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.3 mmt -99.33 -15.04 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.672 -170.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.516 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 13.0 pt-20 -147.02 155.24 42.08 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -49.42 -46.03 47.13 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -172.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.0 m -81.65 -0.75 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -175.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.442 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 23.5 t70 -79.3 -19.01 51.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.943 0.877 . . . . 0.0 109.126 175.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.9 t -100.07 132.22 45.56 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.178 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -10.92 19.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 174.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -101.26 -3.09 29.58 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.169 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.16 -2.65 50.72 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 114.77 0.668 . . . . 0.0 114.77 173.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.49 108.65 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 117.997 0.899 . . . . 0.0 111.161 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.7 m -108.71 108.99 20.05 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.582 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' C ' ' HG ' ' A' ' 28' ' ' SER . 24.9 t70 -139.88 140.51 36.49 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 176.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.451 ' HG ' ' C ' ' A' ' 27' ' ' ASP . 36.6 p 49.71 68.79 0.68 Allowed 'General case' 0 C--N 1.346 0.42 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -173.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 94.0 mt -41.3 89.11 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 123.009 1.385 . . . . 0.0 113.711 -141.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.649 ' HE2' ' CE1' ' A' ' 30' ' ' PHE . 68.2 m-85 -151.25 161.38 42.82 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 111.631 -2.531 . . . . 0.0 104.843 166.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.8 m -57.18 105.97 0.28 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.531 170.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.63 -42.85 93.64 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.73 -173.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.378 177.522 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.5 tt 37.79 86.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.18 0.992 . . . . 0.0 113.465 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -130.39 -20.61 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.905 177.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.485 ' O ' HG22 ' A' ' 19' ' ' VAL . 13.1 t -137.23 -167.06 2.03 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.408 ' O ' HG23 ' A' ' 6' ' ' ILE . 17.0 mt -132.73 33.95 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 122.048 0.927 . . . . 0.0 109.697 177.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.538 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -94.62 150.09 20.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.079 174.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.8 p -140.54 148.83 41.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 119.798 -0.761 . . . . 0.0 112.063 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 86.4 mmm -103.34 150.81 23.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.232 177.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.506 ' H ' HD13 ' A' ' 13' ' ' LEU . 2.0 mp0 -69.3 170.7 9.77 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.111 -178.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -57.29 125.94 25.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.145 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.38 6.17 81.38 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.135 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.506 HD13 ' H ' ' A' ' 10' ' ' GLN . 18.7 mt -98.83 151.44 37.41 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.868 0.334 . . . . 0.0 110.249 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.409 ' O ' ' HG3' ' A' ' 9' ' ' MET . 20.4 Cg_exo -64.54 121.5 9.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.993 2.462 . . . . 0.0 111.981 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.503 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 15.9 p -128.67 135.91 49.91 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.405 ' SD ' HD11 ' A' ' 29' ' ' LEU . 22.7 mmt -110.11 -16.19 13.85 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -170.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.556 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 14.0 pt-20 -127.21 153.33 46.23 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -50.16 -39.8 44.67 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -170.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 5' ' ' SER . 22.8 m -86.34 -4.63 9.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -175.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.556 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 25.6 t70 -77.72 -0.34 26.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.606 0.717 . . . . 0.0 109.965 -177.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.9 t -100.65 125.38 47.05 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 168.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.8 m -63.16 -10.6 15.76 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.681 0.277 . . . . 0.0 111.544 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -109.49 13.33 24.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.004 0.43 . . . . 0.0 110.902 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.6 -2.38 78.85 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 115.322 0.889 . . . . 0.0 115.322 167.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.3 t -125.41 112.66 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 118.406 1.103 . . . . 0.0 112.077 -176.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.0 m -105.58 114.87 29.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.895 173.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -144.15 134.89 25.01 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 m 57.33 67.94 0.91 Allowed 'General case' 0 C--N 1.34 0.19 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.49 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 96.3 mt -40.9 88.48 0.0 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-O 123.035 1.398 . . . . 0.0 113.736 -140.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.643 ' HE2' ' CE1' ' A' ' 30' ' ' PHE . 58.3 m-85 -151.25 154.78 37.46 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 111.707 -2.497 . . . . 0.0 105.75 168.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.4 t -61.26 104.08 0.36 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 174.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.61 -47.65 71.98 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.99 -164.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.526 -176.849 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.487 ' HG ' ' HA ' ' A' ' 17' ' ' GLU . 10.6 mp . . . . . 0 N--CA 1.47 0.555 0 CA-C-O 120.85 0.357 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.9 mt 66.22 76.13 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.089 0.471 . . . . 0.0 111.113 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -139.63 -62.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.107 0.48 . . . . 0.0 110.377 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.436 ' O ' HG21 ' A' ' 19' ' ' VAL . 32.8 m -114.2 117.77 32.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.31 -177.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.7 mt -84.3 83.3 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.723 0.773 . . . . 0.0 110.645 -173.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.75 162.58 13.87 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.26 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.7 t -122.2 136.37 54.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.463 0.649 . . . . 0.0 111.599 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.528 ' HE2' ' O ' ' A' ' 14' ' ' PRO . 10.4 ptp -143.7 164.43 30.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.864 -1.062 . . . . 0.0 108.698 177.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -99.93 172.69 7.07 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.932 0.396 . . . . 0.0 110.988 -177.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -58.93 131.97 52.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.247 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.78 -4.31 63.36 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.108 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mp -91.21 150.3 41.31 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.528 ' O ' ' HE2' ' A' ' 9' ' ' MET . 4.3 Cg_exo -78.91 118.81 4.17 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.729 2.286 . . . . 0.0 111.714 -177.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 14.8 p -110.52 140.1 45.12 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.0 mmt -109.84 -14.47 14.29 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.332 -0.547 . . . . 0.0 112.053 -172.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 15.3 pt-20 -140.19 150.74 44.55 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.26 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -45.64 -44.87 13.58 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.48 0.487 . . . . 0.0 112.224 -174.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.436 HG21 ' O ' ' A' ' 5' ' ' SER . 29.6 m -87.61 1.02 6.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -175.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.519 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 23.2 t0 -65.94 -21.31 66.42 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.723 0.773 . . . . 0.0 109.766 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.8 m -99.8 135.06 41.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.842 171.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -27.18 69.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.298 0.57 . . . . 0.0 110.692 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -83.95 -3.17 57.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.647 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.76 20.7 77.67 Favored Glycine 0 C--O 1.225 -0.45 0 N-CA-C 115.732 1.053 . . . . 0.0 115.732 168.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -127.51 109.62 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 118.968 1.384 . . . . 0.0 112.139 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.3 m -108.29 123.32 48.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.542 173.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -148.69 129.31 14.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.2 m 58.03 68.13 0.87 Allowed 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 64.8 mt -41.03 87.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 123.143 1.449 . . . . 0.0 113.714 -142.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -151.77 150.63 30.38 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 111.327 -2.669 . . . . 0.0 104.715 164.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.7 t -58.33 109.04 0.7 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.031 0.444 . . . . 0.0 110.042 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.16 -39.51 89.83 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.858 -171.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.767 175.726 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.9 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.9 mt 72.72 65.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.629 0.728 . . . . 0.0 110.496 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -139.57 -72.52 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.418 173.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 p -90.73 122.01 33.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.416 -175.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.4 mt -103.19 56.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.531 0.682 . . . . 0.0 111.191 -171.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.43 136.4 35.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.3 m -95.77 136.37 36.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.217 0.532 . . . . 0.0 111.842 -176.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.565 ' SD ' ' HB2' ' A' ' 31' ' ' CYS . 5.9 ptp -114.41 163.75 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.162 174.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -83.94 165.75 18.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.882 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.36 136.66 58.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.206 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.11 -21.39 37.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 113.212 175.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.522 ' HB2' ' SD ' ' A' ' 9' ' ' MET . 88.0 mt -78.55 152.45 78.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.757 0.279 . . . . 0.0 110.355 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.453 ' O ' ' HE2' ' A' ' 9' ' ' MET . 8.7 Cg_exo -70.0 119.78 6.65 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.546 2.164 . . . . 0.0 111.753 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.555 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 20.8 p -112.71 135.57 53.3 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -127.06 14.37 7.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 122.241 1.02 . . . . 0.0 108.487 175.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 20' ' ' ASP . 5.1 tp10 -134.28 137.71 44.47 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 113.55 -1.659 . . . . 0.0 107.938 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -67.69 -42.06 82.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.102 -172.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.7 m -87.66 2.36 5.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.497 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.502 ' OD2' ' HE1' ' A' ' 9' ' ' MET . 15.4 t0 -61.9 -26.3 68.08 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.84 0.828 . . . . 0.0 109.747 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.9 m -99.08 135.26 40.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.026 172.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -20.92 65.29 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.92 0.391 . . . . 0.0 111.141 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -84.93 -7.15 59.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.01 24.18 74.45 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 114.646 0.619 . . . . 0.0 114.646 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.8 t -126.21 108.78 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 118.239 1.019 . . . . 0.0 111.973 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.7 t -107.7 113.27 26.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 170.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -147.2 135.16 21.35 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.267 -175.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.9 t 55.42 67.78 0.96 Allowed 'General case' 0 C--N 1.346 0.425 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.555 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 81.0 mt -43.35 86.31 0.0 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-O 122.998 1.38 . . . . 0.0 113.675 -140.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.654 ' HD1' ' CD2' ' A' ' 30' ' ' PHE . 32.0 m-85 -152.93 147.77 26.35 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 111.652 -2.522 . . . . 0.0 105.122 165.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.565 ' HB2' ' SD ' ' A' ' 9' ' ' MET . 7.3 t -59.15 111.58 1.39 Allowed 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.401 HD21 ' CE2' ' A' ' 33' ' ' TYR . 19.9 tp -73.14 -44.42 60.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.667 -174.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 1.612 ' HE2' ' CE1' ' A' ' 33' ' ' TYR . 80.3 m-85 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.644 -0.693 . . . . 0.0 110.2 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.435 ' HG ' ' HA ' ' A' ' 17' ' ' GLU . 9.2 mp . . . . . 0 N--CA 1.47 0.565 0 CA-C-O 120.596 0.236 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.436 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 36.2 mm 58.99 81.4 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-O 120.96 0.41 . . . . 0.0 111.308 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -136.27 -44.07 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.1 0.476 . . . . 0.0 110.792 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -135.93 -175.61 4.03 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.619 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.5 mt -125.98 65.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.615 0.722 . . . . 0.0 110.126 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.37 160.77 14.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.376 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 43.1 t -137.64 153.13 49.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.302 0.572 . . . . 0.0 111.806 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.613 ' HE2' ' O ' ' A' ' 14' ' ' PRO . 7.6 ptp -144.16 168.92 18.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.118 -177.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -90.2 170.27 10.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.048 175.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -66.65 130.84 44.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.993 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.78 -0.31 48.8 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.978 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.1 mp -95.82 152.51 39.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.613 ' O ' ' HE2' ' A' ' 9' ' ' MET . 5.6 Cg_exo -77.34 118.73 4.72 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.918 2.412 . . . . 0.0 111.912 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.556 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 18.5 p -119.9 136.09 54.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.18 -33.3 7.87 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.831 -171.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 12.8 pt-20 -106.92 146.55 30.89 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.385 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -45.26 -46.8 12.76 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.34 0.656 . . . . 0.0 112.685 -171.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.3 m -88.39 1.46 6.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -173.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.556 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 11.6 t70 -62.18 -24.36 67.15 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.26 0.552 . . . . 0.0 111.256 -174.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 t -100.77 138.85 37.27 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 171.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.0 m -53.02 -21.92 5.12 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -84.82 -13.0 52.41 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.834 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.67 8.78 87.45 Favored Glycine 0 C--O 1.221 -0.696 0 N-CA-C 114.694 0.638 . . . . 0.0 114.694 171.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.2 t -122.82 109.6 24.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 118.465 1.133 . . . . 0.0 111.703 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.5 m -107.73 118.44 36.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.397 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -144.31 134.08 23.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m 56.24 68.41 0.86 Allowed 'General case' 0 C--N 1.343 0.298 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 84.6 mt -40.95 88.31 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 122.838 1.304 . . . . 0.0 113.74 -140.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.652 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 57.8 m-85 -151.66 153.84 35.21 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 111.665 -2.516 . . . . 0.0 105.023 166.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.0 t -59.56 113.48 2.24 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.381 176.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -70.47 -38.18 74.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.099 -171.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 . . . . . 0 C--O 1.244 0.78 0 CA-C-O 118.606 -0.712 . . . . 0.0 111.145 -178.904 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.9 mt . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.503 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 64.3 mt 67.66 90.22 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.344 0.592 . . . . 0.0 111.415 -177.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -142.01 -44.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.095 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -149.05 138.58 21.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.146 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.8 mt -88.4 82.14 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.657 0.741 . . . . 0.0 111.226 -171.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.4 160.1 15.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.426 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.85 113.3 17.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.572 0.701 . . . . 0.0 111.552 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.467 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 91.0 mmm -109.52 144.33 37.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.209 174.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -73.75 164.24 26.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 -177.488 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -61.05 129.34 40.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.216 -176.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.55 -2.45 70.45 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.915 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 10.0 mp -93.82 154.72 40.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 122.642 -0.328 . . . . 0.0 110.452 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -66.83 121.62 8.85 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.909 2.406 . . . . 0.0 112.231 -177.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.593 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 13.1 p -118.57 148.53 42.56 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.7 mmt -123.52 -2.8 8.39 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.349 -0.54 . . . . 0.0 112.044 -175.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 10.2 pt-20 -149.59 153.15 36.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 175.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -46.51 -46.97 19.51 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -172.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.3 m -88.26 -0.19 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -174.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.417 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 31.9 t70 -64.38 -19.11 65.28 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.776 0.798 . . . . 0.0 110.492 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.7 m -98.69 136.43 38.76 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.642 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -55.09 -28.86 55.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.098 -176.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.473 ' HD1' ' C ' ' A' ' 33' ' ' TYR . 34.5 m80 -100.19 5.45 44.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.976 0.417 . . . . 0.0 111.105 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.63 31.17 77.75 Favored Glycine 0 C--O 1.225 -0.421 0 N-CA-C 115.561 0.984 . . . . 0.0 115.561 170.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.5 t -127.46 109.62 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 118.624 1.212 . . . . 0.0 111.887 174.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 m -106.8 114.82 29.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.247 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -140.45 121.5 14.67 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.4 t 60.33 70.03 0.65 Allowed 'General case' 0 C--N 1.345 0.408 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -175.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.593 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 89.6 mt -40.11 87.75 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 122.996 1.379 . . . . 0.0 113.796 -142.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -151.64 150.33 30.15 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 111.693 -2.503 . . . . 0.0 105.071 165.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.467 ' SG ' ' HB2' ' A' ' 9' ' ' MET . 64.1 m -61.12 105.3 0.47 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.222 0.534 . . . . 0.0 111.283 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.506 HD13 ' CE2' ' A' ' 33' ' ' TYR . 2.3 tm? -67.28 -45.9 75.22 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.673 -176.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 1.66 ' HE2' ' CE1' ' A' ' 33' ' ' TYR . 85.6 m-85 . . . . . 0 C--O 1.243 0.717 0 CA-C-O 118.853 -0.594 . . . . 0.0 109.684 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 1.8 mm? . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.2 mt 54.77 82.86 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 123.672 0.608 . . . . 0.0 112.185 175.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -132.61 -70.99 0.54 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.881 175.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 44.1 p -176.71 118.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 -176.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' A' ' 5' ' ' SER . 17.1 tt -179.36 158.72 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 120.632 0.254 . . . . 0.0 110.571 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.43 145.79 31.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.414 ' HB2' ' CA ' ' A' ' 22' ' ' CYS . 28.1 p -82.18 140.88 33.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.358 0.599 . . . . 0.0 111.619 -173.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 95.6 mmm -89.59 155.65 19.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.828 176.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.55 ' H ' HD11 ' A' ' 13' ' ' LEU . 23.4 mt-30 -76.15 175.26 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.459 -178.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -62.51 130.96 47.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.616 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.91 9.67 84.09 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.94 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.55 HD11 ' H ' ' A' ' 10' ' ' GLN . 16.2 mt -105.49 155.91 37.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.869 0.334 . . . . 0.0 110.566 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.439 ' O ' ' HG3' ' A' ' 9' ' ' MET . 14.3 Cg_exo -67.75 130.68 22.45 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.173 2.582 . . . . 0.0 112.131 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 14.6 p -138.67 128.44 25.0 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -107.43 -31.19 8.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.894 0.378 . . . . 0.0 110.89 -174.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -98.32 143.04 29.22 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 67.0 t60 -49.9 -44.59 50.15 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.108 0.413 . . . . 0.0 112.113 -172.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 m -84.21 -0.9 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.794 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.457 ' OD2' ' HA ' ' A' ' 15' ' ' CYS . 35.4 t0 -72.81 -13.5 61.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.741 0.782 . . . . 0.0 109.158 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.547 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 49.6 t -98.57 130.47 45.12 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.753 174.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.414 ' CA ' ' HB2' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -75.8 -9.32 58.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.0 0.428 . . . . 0.0 110.448 178.112 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -97.63 1.91 49.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.013 0.435 . . . . 0.0 110.397 174.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.84 -2.5 68.49 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 114.964 0.746 . . . . 0.0 114.964 170.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.0 t -126.39 110.7 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 118.279 1.039 . . . . 0.0 111.811 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.4 m -105.89 107.67 18.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.199 176.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.436 ' C ' ' HG ' ' A' ' 28' ' ' SER . 37.6 t70 -143.7 138.67 29.05 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.436 ' HG ' ' C ' ' A' ' 27' ' ' ASP . 30.8 p 49.6 68.95 0.65 Allowed 'General case' 0 C--N 1.348 0.505 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -171.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 83.9 mt -43.22 88.16 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 123.013 1.387 . . . . 0.0 114.072 -140.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -151.92 164.61 36.76 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 111.786 -2.461 . . . . 0.0 105.544 167.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.0 m -59.85 106.38 0.48 Allowed 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.517 168.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.5 tp -60.83 -45.01 96.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.572 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 C--O 1.251 1.156 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.927 177.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.6 mt 66.92 71.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.67 0.748 . . . . 0.0 109.89 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -113.91 -80.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.807 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -179.49 31.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.8 mt -93.46 144.52 9.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.821 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.79 159.29 30.24 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.365 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.687 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 5.5 t -76.06 139.64 41.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.378 0.609 . . . . 0.0 112.552 -175.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.0 mmm -100.94 163.59 12.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.114 175.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.484 ' H ' HD13 ' A' ' 13' ' ' LEU . 16.4 mm100 -75.54 172.03 13.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.999 0.428 . . . . 0.0 110.93 178.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -62.84 127.74 32.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.069 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.02 9.41 84.33 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.88 -0.6 . . . . 0.0 113.502 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.484 HD13 ' H ' ' A' ' 10' ' ' GLN . 11.2 mt -96.37 158.05 34.49 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 117.344 0.572 . . . . 0.0 110.635 -178.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.36 127.52 21.2 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.087 2.525 . . . . 0.0 112.485 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.699 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 31.1 p -120.23 148.7 43.34 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 177.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -118.14 -33.03 4.54 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.429 178.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.636 ' OE1' HG23 ' A' ' 19' ' ' VAL . 3.3 pt-20 -116.36 179.46 3.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.192 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -69.06 -47.73 64.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.527 0.195 . . . . 0.0 111.527 -173.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.636 HG23 ' OE1' ' A' ' 17' ' ' GLU . 4.9 m -84.53 2.44 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 111.273 -175.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.687 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 7.3 t0 -60.27 -32.16 70.9 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.211 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.447 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 83.9 m -100.83 137.03 39.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.013 173.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.402 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 79.4 m -51.94 -35.9 47.45 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 177.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -85.91 3.09 43.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 111.228 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.48 -2.49 72.0 Favored Glycine 0 C--O 1.223 -0.587 0 N-CA-C 115.546 0.979 . . . . 0.0 115.546 168.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.7 t -110.23 110.04 30.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 118.932 1.366 . . . . 0.0 112.5 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.416 ' SG ' HD23 ' A' ' 29' ' ' LEU . 9.1 t -105.89 118.32 36.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.083 175.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -148.07 134.11 19.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 118.952 -0.547 . . . . 0.0 109.884 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.6 m 55.01 68.13 0.91 Allowed 'General case' 0 C--N 1.347 0.473 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.699 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 61.7 mt -41.34 86.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 123.065 1.412 . . . . 0.0 113.944 -137.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -152.71 150.94 29.97 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 111.567 -2.561 . . . . 0.0 105.641 166.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.5 m -53.5 112.44 0.9 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 118.318 0.508 . . . . 0.0 110.822 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.43 -44.04 72.11 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.235 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.511 -0.757 . . . . 0.0 109.593 174.579 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.656 0.265 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.1 mt 72.29 56.06 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 121.569 0.699 . . . . 0.0 110.239 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -119.3 -91.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.775 173.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.486 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 14.8 t -175.73 138.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.351 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.486 ' HB ' ' O ' ' A' ' 5' ' ' SER . 15.4 tt 174.59 169.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.3 153.93 42.76 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.465 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 19.4 p -111.56 147.73 34.78 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.812 0.815 . . . . 0.0 112.436 -172.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.1 mmm -97.42 163.13 13.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.033 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.489 ' H ' HD11 ' A' ' 13' ' ' LEU . 74.3 mt-30 -78.8 175.62 10.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.684 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.53 ' HG3' ' OXT' ' A' ' 33' ' ' TYR . 25.0 ttmm -57.44 129.64 42.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.508 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.5 7.81 87.02 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.684 -0.689 . . . . 0.0 113.892 176.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.489 HD11 ' H ' ' A' ' 10' ' ' GLN . 14.6 mt -93.75 154.75 40.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 117.636 0.718 . . . . 0.0 110.533 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -64.85 130.68 26.73 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.208 2.605 . . . . 0.0 112.345 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.597 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 13.9 p -135.97 142.69 44.58 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.439 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.4 ' HG3' HD11 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -124.33 10.92 8.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.769 0.795 . . . . 0.0 109.425 175.311 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' CD ' HG23 ' A' ' 19' ' ' VAL . 2.0 tp10 -146.06 133.7 21.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.629 -1.168 . . . . 0.0 108.561 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -53.66 -48.04 69.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 118.006 0.366 . . . . 0.0 111.76 -175.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.442 HG23 ' CD ' ' A' ' 17' ' ' GLU . 22.0 m -80.24 -0.87 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.129 0.49 . . . . 0.0 111.115 -177.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.45 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 7.5 t70 -69.9 -19.62 63.41 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 173.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 94.2 m -101.12 137.35 39.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.92 171.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.465 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 58.0 m -64.96 -15.41 62.15 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -97.78 -6.05 33.56 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.572 174.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.95 5.84 88.81 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.841 0.696 . . . . 0.0 114.841 173.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.4 t -115.64 110.83 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 118.205 1.003 . . . . 0.0 112.178 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.1 m -106.46 123.12 47.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.221 173.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -149.56 130.87 14.64 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m 58.38 68.36 0.84 Allowed 'General case' 0 C--N 1.342 0.276 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -176.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.597 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 84.5 mt -40.31 87.95 0.0 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-O 123.139 1.447 . . . . 0.0 113.805 -141.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -151.91 158.48 43.24 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 111.482 -2.599 . . . . 0.0 105.68 166.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.1 m -59.84 105.09 0.35 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.083 0.468 . . . . 0.0 110.328 173.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.449 HD13 ' CE2' ' A' ' 33' ' ' TYR . 3.1 tm? -63.27 -45.99 88.9 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.916 -175.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 1.641 ' HE2' ' CE1' ' A' ' 33' ' ' TYR . 81.4 m-85 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.865 176.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.436 ' HA ' ' CB ' ' A' ' 17' ' ' GLU . 7.0 mp . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.0 mt 64.83 65.72 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -171.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.403 ' HB3' ' H ' ' A' ' 5' ' ' SER . 3.6 tp10 -137.26 -75.89 0.41 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.291 -174.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.452 ' H ' ' HG3' ' A' ' 17' ' ' GLU . 10.4 m -82.49 154.23 25.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.749 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.0 mm -111.88 -11.93 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.359 0.6 . . . . 0.0 110.49 -177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.464 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -75.26 142.71 43.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 176.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.51 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 14.4 p -119.8 141.19 49.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.913 0.863 . . . . 0.0 112.669 -171.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mmm -94.94 158.62 15.39 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.164 -1.38 . . . . 0.0 108.924 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.487 ' H ' HD11 ' A' ' 13' ' ' LEU . 1.5 mp0 -73.54 175.22 7.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.315 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -62.09 134.79 57.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.308 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.46 9.69 84.49 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.915 -0.66 . . . . 0.0 113.014 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.487 HD11 ' H ' ' A' ' 10' ' ' GLN . 16.1 mt -104.62 158.06 32.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 122.556 -0.379 . . . . 0.0 110.505 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -64.66 124.54 13.38 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.73 2.286 . . . . 0.0 111.611 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 15.4 p -136.67 130.57 32.35 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.2 mmt -104.78 -17.53 14.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.037 0.446 . . . . 0.0 111.066 -171.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.539 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 1.3 pm0 -131.65 152.01 51.18 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.718 173.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -46.95 -46.41 21.46 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -171.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.0 t -78.15 -9.21 12.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.203 0.525 . . . . 0.0 111.441 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.539 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 21.9 t70 -73.81 -10.36 59.59 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.55 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -101.65 137.98 39.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 164.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.51 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 57.8 m -64.64 -12.25 43.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.515 177.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -99.37 -6.72 27.32 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.74 0.305 . . . . 0.0 110.958 176.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.24 -2.68 88.06 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 115.479 0.951 . . . . 0.0 115.479 169.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.5 t -117.9 108.73 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 118.688 1.244 . . . . 0.0 111.829 -175.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 87.7 m -109.6 125.93 53.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.496 175.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.426 ' C ' ' HG ' ' A' ' 28' ' ' SER . 10.4 t70 -153.53 143.46 22.03 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 175.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.426 ' HG ' ' C ' ' A' ' 27' ' ' ASP . 6.0 p 48.81 68.12 0.75 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -173.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -42.99 88.38 0.0 OUTLIER 'General case' 0 C--O 1.231 0.093 0 CA-C-O 123.366 1.555 . . . . 0.0 114.401 -139.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.618 ' HD1' ' CD2' ' A' ' 30' ' ' PHE . 50.5 m-85 -150.76 161.51 42.5 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 110.999 -2.819 . . . . 0.0 103.402 162.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.99 119.86 9.68 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 118.676 -1.21 . . . . 0.0 109.812 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.52 -36.88 81.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.963 -172.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.423 -0.798 . . . . 0.0 110.458 177.82 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.502 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 54.6 mt . . . . . 0 C--O 1.235 0.338 0 N-CA-C 110.714 -0.106 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.5 mt 64.88 67.65 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.578 0.704 . . . . 0.0 110.103 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -143.79 -41.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.258 -175.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 p -144.37 -172.39 3.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.103 -174.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.6 mt -134.45 68.35 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.552 0.691 . . . . 0.0 111.329 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.515 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -95.34 161.29 14.15 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 172.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 36.4 t -135.04 129.19 33.68 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.855 0.836 . . . . 0.0 112.883 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.4 mmm -111.18 162.56 14.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.103 -1.408 . . . . 0.0 109.247 174.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.555 ' H ' HD11 ' A' ' 13' ' ' LEU . 15.5 mm100 -91.88 175.37 6.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.527 -178.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 33' ' ' TYR . 24.3 ttmm -55.99 125.63 22.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.291 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.26 9.12 80.37 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.887 -0.597 . . . . 0.0 113.837 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.555 HD11 ' H ' ' A' ' 10' ' ' GLN . 10.1 mt -97.63 155.39 37.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 117.535 0.667 . . . . 0.0 110.87 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -68.6 124.8 11.96 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.173 2.582 . . . . 0.0 111.876 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.592 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 15.2 p -129.94 135.95 48.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -122.64 7.15 9.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.44 0.638 . . . . 0.0 110.484 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HA ' ' HA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -129.56 136.1 49.4 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.473 176.697 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -51.03 -46.79 61.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.143 0.429 . . . . 0.0 111.582 -172.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 m -88.31 2.04 6.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.183 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.618 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 36.2 t70 -62.06 -19.93 63.44 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 121.358 0.599 . . . . 0.0 110.123 -175.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.7 m -99.86 128.71 45.93 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 167.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.1 m -50.69 -27.66 7.48 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -75.63 -16.43 60.21 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.702 0.286 . . . . 0.0 111.101 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.0 12.62 76.46 Favored Glycine 0 C--O 1.227 -0.313 0 N-CA-C 115.06 0.784 . . . . 0.0 115.06 170.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 t -127.08 109.28 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 118.411 1.105 . . . . 0.0 112.058 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.9 m -107.36 123.63 48.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.417 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -149.43 134.79 18.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m 56.84 67.99 0.92 Allowed 'General case' 0 C--N 1.343 0.284 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.592 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 75.0 mt -41.48 87.49 0.0 OUTLIER 'General case' 0 C--O 1.234 0.257 0 CA-C-O 122.97 1.367 . . . . 0.0 113.7 -140.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -152.17 158.77 43.37 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 111.497 -2.592 . . . . 0.0 105.023 167.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.8 m -57.36 106.07 0.3 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 118.44 0.564 . . . . 0.0 110.046 173.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.86 -42.61 94.06 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.025 -175.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 1.605 ' HD1' ' CD2' ' A' ' 33' ' ' TYR . 65.4 m-85 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.694 174.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 17' ' ' GLU . 2.0 mm? . . . . . 0 N--CA 1.467 0.39 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.507 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 26.2 mm 58.97 87.2 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 O-C-N 123.336 0.398 . . . . 0.0 111.48 176.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.56 -61.11 0.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.891 0.377 . . . . 0.0 110.944 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 p -68.53 173.0 5.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.991 -174.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.448 HD11 ' N ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -133.18 15.13 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.695 0.76 . . . . 0.0 109.644 175.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.28 160.44 14.82 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.382 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 8.8 t -128.62 123.08 32.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.627 0.727 . . . . 0.0 112.575 -177.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.536 ' SD ' HD21 ' A' ' 13' ' ' LEU . 18.9 mmt -95.17 154.01 17.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.991 171.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.457 ' H ' HD23 ' A' ' 13' ' ' LEU . 16.5 mm100 -98.23 176.21 5.8 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.158 175.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -54.02 128.26 29.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.033 0.444 . . . . 0.0 111.792 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.68 -2.25 82.28 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.369 176.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.536 HD21 ' SD ' ' A' ' 9' ' ' MET . 11.1 mp -93.75 152.92 41.07 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.917 0.359 . . . . 0.0 110.485 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -68.73 120.75 7.65 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.871 2.381 . . . . 0.0 112.021 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 12.4 p -130.36 141.11 50.58 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.7 mmt -104.2 -35.86 7.87 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.209 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.507 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 1.2 pm0 -128.47 153.34 47.25 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.873 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -45.26 -44.37 11.23 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -173.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.9 m -76.85 -2.03 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -173.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.559 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 6.2 t70 -79.4 -17.59 54.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.731 0.777 . . . . 0.0 109.076 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.3 m -101.26 134.25 44.6 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.08 174.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 64.5 m -57.14 -30.45 64.44 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.732 0.301 . . . . 0.0 111.023 171.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -87.93 3.47 48.45 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.573 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.34 -2.09 22.98 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 115.731 1.053 . . . . 0.0 115.731 170.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.6 t -116.89 109.75 28.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 118.701 1.25 . . . . 0.0 112.383 -175.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 38.3 m -108.1 125.44 51.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.35 171.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -154.36 133.72 12.64 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t 57.62 68.2 0.87 Allowed 'General case' 0 C--N 1.343 0.316 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -175.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.1 mt -42.76 87.56 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 123.152 1.453 . . . . 0.0 113.889 -142.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.67 ' HE1' ' CE2' ' A' ' 30' ' ' PHE . 41.5 m-85 -152.14 153.82 34.63 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 111.591 -2.549 . . . . 0.0 104.463 164.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.27 110.67 1.0 Allowed 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.601 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.35 -46.79 72.34 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.572 -167.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.257 179.639 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.44 ' N ' HD13 ' A' ' 2' ' ' LEU . 5.5 mp . . . . . 0 C--O 1.236 0.344 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.8 mt 68.98 66.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.799 0.809 . . . . 0.0 109.907 -175.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -133.58 -69.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.289 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 p -90.32 167.54 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.225 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 6' ' ' ILE . 22.1 mm -123.55 38.56 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.86 0.838 . . . . 0.0 110.886 -176.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.62 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -94.64 156.85 16.23 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 171.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.419 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 13.3 p -148.32 145.1 27.99 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.596 -0.842 . . . . 0.0 112.233 178.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 87.5 mmm -100.29 157.79 16.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.689 -1.141 . . . . 0.0 109.944 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.511 ' H ' HD11 ' A' ' 13' ' ' LEU . 16.2 mm100 -79.52 177.28 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.847 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HB2' ' HZ3' ' A' ' 11' ' ' LYS . 3.7 ttmp? -53.44 130.85 36.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.374 178.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.82 4.95 90.17 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.971 -0.633 . . . . 0.0 113.17 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.511 HD11 ' H ' ' A' ' 10' ' ' GLN . 12.0 mt -100.33 153.55 37.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 117.178 0.489 . . . . 0.0 110.847 -176.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.42 ' O ' ' HG3' ' A' ' 9' ' ' MET . 14.5 Cg_exo -68.36 129.11 18.49 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.314 2.676 . . . . 0.0 112.346 -178.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 14.5 p -141.22 131.78 25.45 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.404 ' HG3' HD12 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -114.35 -31.4 6.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.317 0.579 . . . . 0.0 110.047 -177.042 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.489 ' HB3' ' HB2' ' A' ' 20' ' ' ASP . 1.4 tp10 -83.57 136.35 34.28 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -50.03 -47.83 53.04 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -171.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -87.48 -0.42 7.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.133 -176.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.62 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 23.5 t70 -70.03 -5.02 23.68 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 121.328 0.585 . . . . 0.0 109.913 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.401 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 53.3 t -99.41 130.11 45.65 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 167.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.419 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 69.3 m -65.8 -10.7 40.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.7 0.286 . . . . 0.0 111.03 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -104.56 5.97 34.26 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.757 0.313 . . . . 0.0 110.829 176.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.91 -2.46 74.57 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 115.469 0.947 . . . . 0.0 115.469 167.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.9 t -124.04 110.49 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 118.533 1.167 . . . . 0.0 111.877 -176.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.0 m -106.43 109.05 20.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.422 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -142.64 147.16 35.32 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 p 48.66 66.76 0.99 Allowed 'General case' 0 C--N 1.346 0.441 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -173.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.404 HD12 ' HG3' ' A' ' 16' ' ' MET . 80.5 mt -42.92 87.89 0.0 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-O 123.257 1.503 . . . . 0.0 113.631 -138.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -152.3 169.61 22.08 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 111.259 -2.701 . . . . 0.0 105.098 168.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.67 108.63 0.51 Allowed 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.446 166.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.98 -45.17 94.8 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.849 -178.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 1.644 ' HE2' ' CE1' ' A' ' 33' ' ' TYR . 82.7 m-85 . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.121 174.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 CA--C 1.529 0.157 0 N-CA-C 110.701 -0.111 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.438 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 45.0 mt 58.84 79.55 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 121.371 0.605 . . . . 0.0 110.995 -178.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -135.68 -50.4 0.72 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.613 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 t -125.88 -172.92 2.71 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.2 mt -131.75 65.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.558 0.694 . . . . 0.0 110.832 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.13 160.66 14.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.283 172.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 18.2 t -132.49 119.31 20.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.597 0.713 . . . . 0.0 112.638 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.8 mmm -101.7 158.07 16.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.51 170.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.453 ' H ' HD23 ' A' ' 13' ' ' LEU . 16.0 mm100 -89.38 175.86 7.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.59 0.233 . . . . 0.0 111.054 -178.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -56.06 130.02 42.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.419 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.74 0.91 90.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.98 -0.628 . . . . 0.0 113.339 176.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.453 HD23 ' H ' ' A' ' 10' ' ' GLN . 10.4 mp -94.86 152.52 39.74 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.906 0.353 . . . . 0.0 110.311 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.17 121.0 8.69 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.81 2.34 . . . . 0.0 112.155 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 17.0 p -128.46 135.58 49.66 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.5 mmt -107.04 -18.5 13.89 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.536 -0.465 . . . . 0.0 112.088 -170.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 13.6 pt-20 -130.19 151.88 50.23 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.285 177.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -45.5 -46.42 13.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.74 0.65 . . . . 0.0 112.712 -172.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.4 m -88.05 -1.06 8.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -173.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.527 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 21.2 t70 -63.82 -20.64 65.95 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.194 0.521 . . . . 0.0 111.207 -174.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -100.67 138.06 38.23 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 170.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.6 m -52.6 -24.39 8.25 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 174.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -87.26 -8.57 56.64 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.728 0.299 . . . . 0.0 111.023 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.31 15.6 78.87 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 115.564 0.986 . . . . 0.0 115.564 169.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.2 t -127.54 109.71 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 118.706 1.253 . . . . 0.0 111.882 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 56.7 m -107.68 117.27 33.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.342 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -144.21 126.25 15.46 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 t 60.73 69.53 0.68 Allowed 'General case' 0 C--N 1.346 0.418 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 -175.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.471 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 97.4 mt -41.07 87.52 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 123.164 1.459 . . . . 0.0 113.792 -141.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.664 ' HD1' ' CD2' ' A' ' 30' ' ' PHE . 71.7 m-85 -151.62 151.17 31.14 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 111.595 -2.548 . . . . 0.0 104.497 165.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.9 t -59.11 113.53 2.16 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.395 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -70.26 -46.73 63.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.239 -170.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.876 -178.588 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--O 1.233 0.235 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.5 mt 73.49 51.64 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 121.988 0.899 . . . . 0.0 109.867 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -131.4 -147.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.278 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.503 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 11.9 m -79.38 -133.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.731 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.503 ' HB ' ' O ' ' A' ' 5' ' ' SER . 79.1 mt 80.75 138.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-O 121.412 0.625 . . . . 0.0 112.075 173.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.96 159.67 27.58 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.394 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.625 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 3.3 t -84.85 139.35 31.96 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.436 0.636 . . . . 0.0 112.364 -174.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.1 mmm -99.92 166.28 11.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.12 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.542 ' H ' HD11 ' A' ' 13' ' ' LEU . 14.2 mm100 -82.94 171.93 13.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.256 0.551 . . . . 0.0 111.31 -177.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -62.13 131.34 49.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.445 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.1 8.54 85.43 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 113.359 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.542 HD11 ' H ' ' A' ' 10' ' ' GLN . 13.5 mt -97.34 155.53 37.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 117.264 0.532 . . . . 0.0 110.595 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -69.35 121.89 8.67 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.065 2.51 . . . . 0.0 111.897 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.575 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 15.4 p -115.49 144.76 43.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.9 mmt -127.8 12.37 6.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.527 0.68 . . . . 0.0 110.095 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 20' ' ' ASP . 2.9 tp10 -146.65 137.41 23.99 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.001 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -51.77 -46.08 64.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.958 0.408 . . . . 0.0 111.355 -176.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.3 m -87.21 1.48 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.184 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.625 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 27.3 t70 -61.39 -30.0 70.27 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.53 0.681 . . . . 0.0 109.736 -179.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 60.8 m -98.95 135.59 40.15 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.187 173.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 99.0 m -51.76 -34.33 38.99 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -80.82 -6.04 58.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.83 0.348 . . . . 0.0 111.404 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.64 27.41 73.21 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 114.659 0.623 . . . . 0.0 114.659 171.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.3 t -127.11 109.59 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 117.891 0.846 . . . . 0.0 111.332 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.1 m -106.77 120.95 43.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.12 0.486 . . . . 0.0 111.4 174.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -148.93 139.31 22.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 p 48.89 68.29 0.73 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -175.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.575 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 90.1 mt -40.8 88.47 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 123.238 1.494 . . . . 0.0 113.878 -141.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.644 ' HE2' ' CE1' ' A' ' 30' ' ' PHE . 58.8 m-85 -151.0 157.6 43.09 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 111.498 -2.592 . . . . 0.0 105.243 168.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.1 m -57.73 104.33 0.18 Allowed 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 173.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.89 -41.48 97.93 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.315 -173.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 1.632 ' HE1' ' CE2' ' A' ' 33' ' ' TYR . 72.3 m-85 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.909 175.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.1 mt 59.8 73.9 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 121.3 0.572 . . . . 0.0 110.816 -176.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -143.41 97.7 3.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.385 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 11.8 t 61.16 -150.57 0.4 Allowed 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.412 ' HB ' ' O ' ' A' ' 5' ' ' SER . 46.1 mm 75.47 130.17 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.295 0.569 . . . . 0.0 112.315 171.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.2 158.89 28.84 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.418 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 14.5 p -95.31 145.53 25.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.38 0.609 . . . . 0.0 111.685 -174.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 20' ' ' ASP . 16.9 ptp -108.62 171.26 7.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.761 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.437 ' OE1' ' HA ' ' A' ' 10' ' ' GLN . 15.1 mm-40 -83.55 175.66 9.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.628 -173.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -60.69 135.02 57.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.807 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.0 9.19 84.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.069 -0.586 . . . . 0.0 113.85 174.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.432 HD13 ' H ' ' A' ' 10' ' ' GLN . 45.8 mt -98.75 155.77 36.33 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 117.222 0.511 . . . . 0.0 110.141 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -72.43 119.71 6.3 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.036 2.491 . . . . 0.0 112.388 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.68 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 29.1 p -112.22 160.64 17.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.375 -174.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.7 mmt -120.03 -25.81 5.7 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 176.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -140.85 173.73 11.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.627 0.251 . . . . 0.0 111.23 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -55.27 -47.28 75.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.142 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.2 m -79.54 -7.75 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -172.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.44 ' O ' ' HG2' ' A' ' 9' ' ' MET . 41.7 t0 -66.53 -26.09 66.98 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 176.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 81.0 m -100.34 136.26 40.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.425 175.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.418 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 82.6 m -65.59 -15.58 62.87 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.551 ' HD1' ' C ' ' A' ' 33' ' ' TYR . 25.9 m170 -105.51 8.02 33.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.875 0.369 . . . . 0.0 111.157 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.19 -2.54 70.09 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 115.97 1.148 . . . . 0.0 115.97 167.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 t -114.66 110.03 30.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 119.101 1.451 . . . . 0.0 112.537 -175.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.6 t -106.62 116.93 32.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.594 174.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -149.37 134.07 17.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 118.921 -0.561 . . . . 0.0 109.814 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.5 t 56.16 67.78 0.95 Allowed 'General case' 0 C--N 1.345 0.411 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.68 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 85.1 mt -41.21 85.93 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 123.006 1.384 . . . . 0.0 113.481 -137.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -152.78 148.08 26.8 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 111.699 -2.501 . . . . 0.0 105.608 167.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.4 m -60.59 104.33 0.33 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.064 0.459 . . . . 0.0 110.535 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.437 HD21 ' CE2' ' A' ' 33' ' ' TYR . 25.3 tp -60.49 -45.24 94.49 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.045 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.551 ' C ' ' HD1' ' A' ' 23' ' ' HIS . 75.6 m-85 . . . . . 0 C--O 1.243 0.711 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.789 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.505 ' HG ' ' HA ' ' A' ' 17' ' ' GLU . 5.7 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 3' ' ' ILE . 33.2 mt 70.5 48.97 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 121.895 0.855 . . . . 0.0 110.751 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -129.35 -101.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.586 172.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -157.36 91.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.73 0.3 . . . . 0.0 111.009 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.9 mt -138.36 139.18 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 120.651 0.262 . . . . 0.0 110.534 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.53 159.17 34.36 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.04 0.536 . . . . 0.0 111.799 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 8.7 t -82.4 138.37 34.46 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.641 0.734 . . . . 0.0 112.319 -175.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.5 mmm -107.46 171.11 7.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.009 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.492 ' H ' HD11 ' A' ' 13' ' ' LEU . 16.4 mm100 -89.21 170.01 10.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.059 0.457 . . . . 0.0 111.177 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -59.78 134.04 56.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.965 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.91 -3.1 85.99 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.018 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.492 HD11 ' H ' ' A' ' 10' ' ' GLN . 25.4 mt -95.21 154.2 39.55 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.34 122.29 10.41 Favored 'Trans proline' 0 C--O 1.229 0.046 0 C-N-CA 122.762 2.308 . . . . 0.0 112.033 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 22.0 p -109.77 152.27 25.9 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.557 ' SD ' HD11 ' A' ' 29' ' ' LEU . 22.6 mmt -131.41 1.79 4.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.883 0.373 . . . . 0.0 111.171 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HA ' ' HG ' ' A' ' 2' ' ' LEU . 1.0 OUTLIER -151.61 160.18 43.76 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.607 -174.333 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -62.86 -48.22 79.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.796 0.331 . . . . 0.0 110.273 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 32.6 m -82.53 -0.99 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.043 -178.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.551 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 11.7 t70 -63.51 -30.46 71.58 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 169.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.6 m -99.45 125.81 45.24 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.67 169.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.41 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 81.6 m -55.65 -21.85 19.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.446 175.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -98.37 9.1 43.87 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.6 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.63 -3.05 65.09 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 115.781 1.072 . . . . 0.0 115.781 168.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.3 t -113.6 110.05 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 118.69 1.245 . . . . 0.0 112.705 -175.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.3 t -106.31 113.86 27.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.329 173.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -137.68 141.79 41.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.587 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 p 44.71 67.86 0.64 Allowed 'General case' 0 C--N 1.352 0.695 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.557 HD11 ' SD ' ' A' ' 16' ' ' MET . 88.4 mt -40.51 86.72 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 123.057 1.408 . . . . 0.0 113.533 -137.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -152.18 143.1 23.04 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 111.739 -2.482 . . . . 0.0 105.545 166.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.1 t -57.51 111.85 1.24 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.073 0.463 . . . . 0.0 110.032 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.459 HD13 ' CE2' ' A' ' 33' ' ' TYR . 2.6 tm? -73.09 -47.24 46.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.435 -167.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.459 ' CE2' HD13 ' A' ' 32' ' ' LEU . 67.6 m-85 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.401 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 mp -116.9 151.99 35.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.406 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 55.6 mt 76.84 154.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 123.587 0.554 . . . . 0.0 111.131 176.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 5' ' ' SER . 42.3 tt0 78.21 139.96 0.07 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.967 0.907 . . . . 0.0 110.418 -177.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 50.8 m 73.98 167.31 0.3 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.168 0.587 . . . . 0.0 110.578 -175.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.9 mt -143.2 85.94 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-O 121.131 0.491 . . . . 0.0 111.303 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.421 ' HB1' ' HA ' ' A' ' 20' ' ' ASP . . . -94.03 160.77 14.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.001 173.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -130.3 112.99 13.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.887 0.851 . . . . 0.0 112.191 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mmm -116.45 143.87 45.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.319 -1.31 . . . . 0.0 108.948 171.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.445 ' H ' HD13 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -71.35 163.63 27.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.349 -175.644 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -61.75 127.65 32.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.744 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.95 1.02 63.42 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.901 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.445 HD13 ' H ' ' A' ' 10' ' ' GLN . 16.4 mt -94.84 154.45 39.82 Favored Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 122.625 -0.338 . . . . 0.0 110.48 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -66.94 123.43 10.98 Favored 'Trans proline' 0 CA--C 1.521 -0.162 0 C-N-CA 122.884 2.389 . . . . 0.0 112.267 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.594 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 13.7 p -131.38 138.57 49.19 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.9 mmt -118.23 -19.89 8.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.541 0.686 . . . . 0.0 109.762 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -107.47 131.09 54.68 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.275 175.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -55.65 -34.48 65.0 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.231 -171.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.9 m -88.58 -0.36 7.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.54 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.421 ' HA ' ' HB1' ' A' ' 7' ' ' ALA . 19.4 t70 -66.3 -18.67 65.49 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.779 0.8 . . . . 0.0 110.238 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.51 137.26 35.86 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.043 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -25.45 62.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.976 -175.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -93.5 -6.81 45.98 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 111.295 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.87 27.84 68.09 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 114.28 0.472 . . . . 0.0 114.28 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.6 t -126.56 109.0 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 118.031 0.915 . . . . 0.0 111.833 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.1 m -106.36 127.15 53.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.398 170.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -147.87 128.52 14.19 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 m 57.66 69.42 0.74 Allowed 'General case' 0 C--N 1.343 0.316 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.594 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 93.5 mt -41.09 88.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 123.158 1.456 . . . . 0.0 114.188 -139.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -152.09 149.12 28.46 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 111.588 -2.551 . . . . 0.0 105.603 164.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.4 m -57.86 110.32 0.89 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.155 0.502 . . . . 0.0 110.945 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.525 HD13 ' CE2' ' A' ' 33' ' ' TYR . 2.1 tm? -72.65 -44.05 62.4 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.979 -174.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 1.633 ' HD2' ' CD1' ' A' ' 33' ' ' TYR . 75.7 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.049 -0.976 . . . . 0.0 109.428 175.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.9 mp -112.56 152.27 29.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.4 mt 68.6 67.33 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 109.982 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -146.24 -55.53 0.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.188 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 p -118.1 125.23 49.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.801 -175.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.6 mt -98.43 44.73 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-O 121.742 0.782 . . . . 0.0 111.58 -168.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.733 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -94.32 143.08 26.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 167.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.478 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 14.1 p -133.82 148.01 51.28 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.199 -1.001 . . . . 0.0 113.349 -171.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 81.3 mmm -100.79 142.94 31.55 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.1 -1.409 . . . . 0.0 108.166 172.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -76.91 175.67 9.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.78 0.324 . . . . 0.0 111.794 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -47.52 129.72 13.53 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.869 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.25 9.01 70.71 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 113.992 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.6 mt -114.46 152.38 46.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 117.682 0.741 . . . . 0.0 111.309 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' O ' ' HG3' ' A' ' 9' ' ' MET . 15.4 Cg_exo -66.7 132.03 27.59 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.289 2.66 . . . . 0.0 112.472 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 21.8 p -138.5 128.6 25.6 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.401 ' HA ' HD11 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -112.26 1.96 16.37 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.527 0.68 . . . . 0.0 110.685 -173.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' CG ' ' HB2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER -126.35 138.45 53.57 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.042 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -49.51 -47.67 48.64 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -171.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.435 HG23 ' OE2' ' A' ' 17' ' ' GLU . 35.6 m -87.93 0.43 7.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.842 -178.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.733 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 28.3 t70 -72.29 -4.47 29.84 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.416 0.626 . . . . 0.0 109.769 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.401 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 50.3 t -99.08 134.84 41.35 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 170.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.478 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 72.0 m -67.85 -10.26 51.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.693 0.282 . . . . 0.0 111.091 178.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -101.28 -0.97 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.753 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.17 -2.4 65.93 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 114.61 0.604 . . . . 0.0 114.61 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.8 t -120.19 108.92 24.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 117.854 0.827 . . . . 0.0 111.564 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 86.2 m -107.41 109.14 20.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.167 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -136.79 130.95 32.68 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m 58.11 68.34 0.85 Allowed 'General case' 0 C--N 1.343 0.313 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 -175.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.465 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 86.3 mt -41.28 88.48 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 123.015 1.388 . . . . 0.0 113.733 -140.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.601 ' HE1' ' CE2' ' A' ' 30' ' ' PHE . 46.2 m-85 -152.2 165.14 35.77 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 111.489 -2.596 . . . . 0.0 105.076 166.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.9 m -57.69 112.43 1.45 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.05 169.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.405 HD13 ' CE2' ' A' ' 33' ' ' TYR . 3.1 tm? -65.01 -36.56 84.81 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.878 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.405 ' CE2' HD13 ' A' ' 32' ' ' LEU . 85.0 m-85 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.364 -0.827 . . . . 0.0 109.856 175.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 17' ' ' GLU . 9.3 mp -110.35 138.39 46.8 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 55.1 mt 62.92 80.45 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 121.19 0.519 . . . . 0.0 110.423 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -135.69 -71.87 0.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.513 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -170.93 53.82 0.03 OUTLIER 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 111.816 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.1 mt -124.28 134.93 65.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.691 0.281 . . . . 0.0 110.409 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.21 158.44 19.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 74.0 m -57.74 140.35 51.69 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -173.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.605 ' HG3' ' SG ' ' A' ' 31' ' ' CYS . 8.1 ptp -120.19 165.49 14.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.09 169.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -90.88 171.86 9.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.12 0.486 . . . . 0.0 111.739 -173.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -58.53 129.42 41.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.442 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.91 -3.61 58.78 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.488 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.433 ' HB3' ' SD ' ' A' ' 9' ' ' MET . 11.1 mp -94.07 154.39 40.64 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 117.378 0.589 . . . . 0.0 110.51 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.42 119.38 5.22 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.06 2.507 . . . . 0.0 112.085 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.508 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 29.8 p -106.97 154.72 20.67 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -175.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.2 mmt -120.75 -33.16 3.85 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.405 -0.518 . . . . 0.0 112.048 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' OE2' HG23 ' A' ' 19' ' ' VAL . 9.2 pt-20 -120.9 170.75 9.19 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.197 177.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -58.45 -47.62 83.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG23 ' OE2' ' A' ' 17' ' ' GLU . 18.9 m -87.21 3.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -174.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 38.0 t0 -59.23 -34.71 72.53 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.735 0.779 . . . . 0.0 109.308 -177.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 62.4 m -99.06 136.11 39.5 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -11.58 56.15 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -174.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -83.12 -16.22 47.68 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.508 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.3 15.77 63.76 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.063 -0.589 . . . . 0.0 114.514 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.0 t -126.59 110.35 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 118.519 1.159 . . . . 0.0 111.795 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 t -106.26 121.86 45.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.868 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -154.34 141.85 19.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 118.948 -0.549 . . . . 0.0 109.778 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.5 m 53.2 66.79 1.13 Allowed 'General case' 0 C--N 1.347 0.496 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 3.1 mm? -41.37 86.74 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 122.748 1.261 . . . . 0.0 113.287 -137.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.669 ' HE1' ' CE2' ' A' ' 30' ' ' PHE . 45.0 m-85 -153.17 154.87 35.6 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 112.169 -2.287 . . . . 0.0 106.054 167.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.605 ' SG ' ' HG3' ' A' ' 9' ' ' MET . 67.1 m -55.68 105.27 0.17 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.074 0.464 . . . . 0.0 110.641 174.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.448 HD13 ' CE2' ' A' ' 33' ' ' TYR . 2.5 tm? -64.72 -40.3 95.1 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.599 -176.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 1.655 ' HD1' ' CD2' ' A' ' 33' ' ' TYR . 71.9 m-85 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.025 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 N-CA-C 112.135 -0.386 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.405 HD13 ' N ' ' A' ' 2' ' ' LEU . 5.6 mp -88.18 156.98 18.95 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.516 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 51.3 mt 61.18 74.25 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 121.439 0.637 . . . . 0.0 110.798 -176.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -150.89 -40.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.892 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 t -126.97 119.22 26.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.169 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.8 mt -94.08 77.36 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.392 0.615 . . . . 0.0 111.577 -171.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.421 ' HB1' ' OD1' ' A' ' 20' ' ' ASP . . . -94.64 159.77 14.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 168.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 t -121.56 115.18 22.32 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.898 177.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.9 mmm -94.53 151.21 19.52 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.911 172.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.516 ' H ' HD13 ' A' ' 13' ' ' LEU . 15.1 mm100 -73.9 170.36 15.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.602 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -64.42 130.41 43.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.14 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.98 3.84 85.04 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.007 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.516 HD13 ' H ' ' A' ' 10' ' ' GLN . 11.5 mt -97.66 155.4 37.25 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 117.145 0.472 . . . . 0.0 110.673 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.57 121.54 8.64 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.903 2.402 . . . . 0.0 111.854 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 22.2 p -123.58 135.52 54.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.3 mmt -99.33 -15.04 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.672 -170.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.516 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 13.0 pt-20 -147.02 155.24 42.08 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -49.42 -46.03 47.13 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -172.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.0 m -81.65 -0.75 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -175.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.442 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 23.5 t70 -79.3 -19.01 51.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.943 0.877 . . . . 0.0 109.126 175.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.9 t -100.07 132.22 45.56 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.178 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -10.92 19.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 174.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -101.26 -3.09 29.58 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.169 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.16 -2.65 50.72 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 114.77 0.668 . . . . 0.0 114.77 173.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.49 108.65 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 117.997 0.899 . . . . 0.0 111.161 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.7 m -108.71 108.99 20.05 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.582 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' C ' ' HG ' ' A' ' 28' ' ' SER . 24.9 t70 -139.88 140.51 36.49 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 176.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.451 ' HG ' ' C ' ' A' ' 27' ' ' ASP . 36.6 p 49.71 68.79 0.68 Allowed 'General case' 0 C--N 1.346 0.42 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -173.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 94.0 mt -41.3 89.11 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 123.009 1.385 . . . . 0.0 113.711 -141.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.649 ' HE2' ' CE1' ' A' ' 30' ' ' PHE . 68.2 m-85 -151.25 161.38 42.82 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 111.631 -2.531 . . . . 0.0 104.843 166.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.8 m -57.18 105.97 0.28 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.531 170.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.63 -42.85 93.64 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.73 -173.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.378 177.522 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -110.8 165.49 11.8 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 12.5 tt 37.79 86.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.18 0.992 . . . . 0.0 113.465 178.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -130.39 -20.61 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.905 177.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.485 ' O ' HG22 ' A' ' 19' ' ' VAL . 13.1 t -137.23 -167.06 2.03 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.408 ' O ' HG23 ' A' ' 6' ' ' ILE . 17.0 mt -132.73 33.95 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 122.048 0.927 . . . . 0.0 109.697 177.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.538 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -94.62 150.09 20.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.079 174.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.8 p -140.54 148.83 41.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 119.798 -0.761 . . . . 0.0 112.063 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 86.4 mmm -103.34 150.81 23.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.232 177.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.506 ' H ' HD13 ' A' ' 13' ' ' LEU . 2.0 mp0 -69.3 170.7 9.77 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.111 -178.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -57.29 125.94 25.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.145 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.38 6.17 81.38 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.135 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.506 HD13 ' H ' ' A' ' 10' ' ' GLN . 18.7 mt -98.83 151.44 37.41 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.868 0.334 . . . . 0.0 110.249 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.409 ' O ' ' HG3' ' A' ' 9' ' ' MET . 20.4 Cg_exo -64.54 121.5 9.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.993 2.462 . . . . 0.0 111.981 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.503 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 15.9 p -128.67 135.91 49.91 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.405 ' SD ' HD11 ' A' ' 29' ' ' LEU . 22.7 mmt -110.11 -16.19 13.85 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -170.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.556 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 14.0 pt-20 -127.21 153.33 46.23 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -50.16 -39.8 44.67 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -170.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 5' ' ' SER . 22.8 m -86.34 -4.63 9.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -175.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.556 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 25.6 t70 -77.72 -0.34 26.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.606 0.717 . . . . 0.0 109.965 -177.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.9 t -100.65 125.38 47.05 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 168.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.8 m -63.16 -10.6 15.76 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.681 0.277 . . . . 0.0 111.544 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -109.49 13.33 24.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.004 0.43 . . . . 0.0 110.902 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.6 -2.38 78.85 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 115.322 0.889 . . . . 0.0 115.322 167.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.3 t -125.41 112.66 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 118.406 1.103 . . . . 0.0 112.077 -176.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.0 m -105.58 114.87 29.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.895 173.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -144.15 134.89 25.01 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 m 57.33 67.94 0.91 Allowed 'General case' 0 C--N 1.34 0.19 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.49 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 96.3 mt -40.9 88.48 0.0 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-O 123.035 1.398 . . . . 0.0 113.736 -140.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.643 ' HE2' ' CE1' ' A' ' 30' ' ' PHE . 58.3 m-85 -151.25 154.78 37.46 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 111.707 -2.497 . . . . 0.0 105.75 168.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.4 t -61.26 104.08 0.36 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 174.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.61 -47.65 71.98 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.99 -164.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.526 -176.849 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.072 -0.411 . . . . 0.0 112.072 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.487 ' HG ' ' HA ' ' A' ' 17' ' ' GLU . 10.6 mp 70.77 151.21 0.1 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.277 0.631 . . . . 0.0 110.981 -178.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.9 mt 66.22 76.13 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.089 0.471 . . . . 0.0 111.113 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -139.63 -62.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.107 0.48 . . . . 0.0 110.377 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.436 ' O ' HG21 ' A' ' 19' ' ' VAL . 32.8 m -114.2 117.77 32.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.31 -177.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.7 mt -84.3 83.3 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.723 0.773 . . . . 0.0 110.645 -173.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.75 162.58 13.87 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.26 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.7 t -122.2 136.37 54.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.463 0.649 . . . . 0.0 111.599 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.528 ' HE2' ' O ' ' A' ' 14' ' ' PRO . 10.4 ptp -143.7 164.43 30.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.864 -1.062 . . . . 0.0 108.698 177.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -99.93 172.69 7.07 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.932 0.396 . . . . 0.0 110.988 -177.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -58.93 131.97 52.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.247 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.78 -4.31 63.36 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.108 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mp -91.21 150.3 41.31 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.528 ' O ' ' HE2' ' A' ' 9' ' ' MET . 4.3 Cg_exo -78.91 118.81 4.17 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.729 2.286 . . . . 0.0 111.714 -177.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 14.8 p -110.52 140.1 45.12 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.0 mmt -109.84 -14.47 14.29 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.332 -0.547 . . . . 0.0 112.053 -172.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 15.3 pt-20 -140.19 150.74 44.55 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.26 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -45.64 -44.87 13.58 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.48 0.487 . . . . 0.0 112.224 -174.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.436 HG21 ' O ' ' A' ' 5' ' ' SER . 29.6 m -87.61 1.02 6.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -175.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.519 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 23.2 t0 -65.94 -21.31 66.42 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.723 0.773 . . . . 0.0 109.766 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.8 m -99.8 135.06 41.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.842 171.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -27.18 69.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.298 0.57 . . . . 0.0 110.692 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -83.95 -3.17 57.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.647 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.76 20.7 77.67 Favored Glycine 0 C--O 1.225 -0.45 0 N-CA-C 115.732 1.053 . . . . 0.0 115.732 168.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -127.51 109.62 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 118.968 1.384 . . . . 0.0 112.139 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.3 m -108.29 123.32 48.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.542 173.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -148.69 129.31 14.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.2 m 58.03 68.13 0.87 Allowed 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 64.8 mt -41.03 87.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 123.143 1.449 . . . . 0.0 113.714 -142.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -151.77 150.63 30.38 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 111.327 -2.669 . . . . 0.0 104.715 164.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.7 t -58.33 109.04 0.7 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.031 0.444 . . . . 0.0 110.042 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.16 -39.51 89.83 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.858 -171.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.767 175.726 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.838 0 N-CA-C 111.896 -0.482 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.9 mt -124.7 137.54 54.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.78 0.29 . . . . 0.0 110.252 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.9 mt 72.72 65.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.629 0.728 . . . . 0.0 110.496 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -139.57 -72.52 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.418 173.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 p -90.73 122.01 33.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.416 -175.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.4 mt -103.19 56.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.531 0.682 . . . . 0.0 111.191 -171.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.43 136.4 35.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.3 m -95.77 136.37 36.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.217 0.532 . . . . 0.0 111.842 -176.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.565 ' SD ' ' HB2' ' A' ' 31' ' ' CYS . 5.9 ptp -114.41 163.75 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.162 174.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -83.94 165.75 18.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.882 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.36 136.66 58.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.206 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.11 -21.39 37.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 113.212 175.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' HB2' ' SD ' ' A' ' 9' ' ' MET . 88.0 mt -78.55 152.45 78.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.757 0.279 . . . . 0.0 110.355 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.453 ' O ' ' HE2' ' A' ' 9' ' ' MET . 8.7 Cg_exo -70.0 119.78 6.65 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.546 2.164 . . . . 0.0 111.753 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.555 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 20.8 p -112.71 135.57 53.3 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -127.06 14.37 7.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 122.241 1.02 . . . . 0.0 108.487 175.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HB3' ' HB2' ' A' ' 20' ' ' ASP . 5.1 tp10 -134.28 137.71 44.47 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 113.55 -1.659 . . . . 0.0 107.938 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -67.69 -42.06 82.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.102 -172.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.7 m -87.66 2.36 5.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.497 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.502 ' OD2' ' HE1' ' A' ' 9' ' ' MET . 15.4 t0 -61.9 -26.3 68.08 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.84 0.828 . . . . 0.0 109.747 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.9 m -99.08 135.26 40.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.026 172.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -20.92 65.29 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.92 0.391 . . . . 0.0 111.141 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -84.93 -7.15 59.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.01 24.18 74.45 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 114.646 0.619 . . . . 0.0 114.646 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.8 t -126.21 108.78 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 118.239 1.019 . . . . 0.0 111.973 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.7 t -107.7 113.27 26.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 170.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -147.2 135.16 21.35 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.267 -175.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.9 t 55.42 67.78 0.96 Allowed 'General case' 0 C--N 1.346 0.425 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.555 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 81.0 mt -43.35 86.31 0.0 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-O 122.998 1.38 . . . . 0.0 113.675 -140.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.654 ' HD1' ' CD2' ' A' ' 30' ' ' PHE . 32.0 m-85 -152.93 147.77 26.35 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 111.652 -2.522 . . . . 0.0 105.122 165.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.565 ' HB2' ' SD ' ' A' ' 9' ' ' MET . 7.3 t -59.15 111.58 1.39 Allowed 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.401 HD21 ' CE2' ' A' ' 33' ' ' TYR . 19.9 tp -73.14 -44.42 60.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.667 -174.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 1.612 ' HE2' ' CE1' ' A' ' 33' ' ' TYR . 80.3 m-85 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.644 -0.693 . . . . 0.0 110.2 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 112.215 -0.354 . . . . 0.0 112.215 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.435 ' HG ' ' HA ' ' A' ' 17' ' ' GLU . 9.2 mp 69.75 154.51 0.12 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.021 0.528 . . . . 0.0 110.977 -179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.436 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 36.2 mm 58.99 81.4 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-O 120.96 0.41 . . . . 0.0 111.308 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -136.27 -44.07 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.1 0.476 . . . . 0.0 110.792 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -135.93 -175.61 4.03 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.619 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.5 mt -125.98 65.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.615 0.722 . . . . 0.0 110.126 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.37 160.77 14.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.376 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 43.1 t -137.64 153.13 49.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.302 0.572 . . . . 0.0 111.806 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.613 ' HE2' ' O ' ' A' ' 14' ' ' PRO . 7.6 ptp -144.16 168.92 18.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.118 -177.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -90.2 170.27 10.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.048 175.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -66.65 130.84 44.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.993 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.78 -0.31 48.8 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.978 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.1 mp -95.82 152.51 39.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.613 ' O ' ' HE2' ' A' ' 9' ' ' MET . 5.6 Cg_exo -77.34 118.73 4.72 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.918 2.412 . . . . 0.0 111.912 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.556 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 18.5 p -119.9 136.09 54.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.18 -33.3 7.87 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.831 -171.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 12.8 pt-20 -106.92 146.55 30.89 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.385 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -45.26 -46.8 12.76 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.34 0.656 . . . . 0.0 112.685 -171.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.3 m -88.39 1.46 6.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -173.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.556 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 11.6 t70 -62.18 -24.36 67.15 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.26 0.552 . . . . 0.0 111.256 -174.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 t -100.77 138.85 37.27 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 171.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.0 m -53.02 -21.92 5.12 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -84.82 -13.0 52.41 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.834 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.67 8.78 87.45 Favored Glycine 0 C--O 1.221 -0.696 0 N-CA-C 114.694 0.638 . . . . 0.0 114.694 171.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.2 t -122.82 109.6 24.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 118.465 1.133 . . . . 0.0 111.703 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.5 m -107.73 118.44 36.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.397 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -144.31 134.08 23.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m 56.24 68.41 0.86 Allowed 'General case' 0 C--N 1.343 0.298 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 84.6 mt -40.95 88.31 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 122.838 1.304 . . . . 0.0 113.74 -140.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.652 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 57.8 m-85 -151.66 153.84 35.21 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 111.665 -2.516 . . . . 0.0 105.023 166.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.0 t -59.56 113.48 2.24 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.381 176.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -70.47 -38.18 74.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.099 -171.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 . . . . . 0 C--O 1.244 0.78 0 CA-C-O 118.606 -0.712 . . . . 0.0 111.145 -178.904 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 112.084 -0.406 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.9 mt 70.4 129.37 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.487 0.715 . . . . 0.0 110.389 -177.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.503 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 64.3 mt 67.66 90.22 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.344 0.592 . . . . 0.0 111.415 -177.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -142.01 -44.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.095 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -149.05 138.58 21.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.146 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.8 mt -88.4 82.14 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.657 0.741 . . . . 0.0 111.226 -171.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.4 160.1 15.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.426 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.85 113.3 17.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.572 0.701 . . . . 0.0 111.552 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.467 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 91.0 mmm -109.52 144.33 37.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.209 174.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -73.75 164.24 26.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 -177.488 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -61.05 129.34 40.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.216 -176.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.55 -2.45 70.45 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.915 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 10.0 mp -93.82 154.72 40.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 122.642 -0.328 . . . . 0.0 110.452 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -66.83 121.62 8.85 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.909 2.406 . . . . 0.0 112.231 -177.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.593 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 13.1 p -118.57 148.53 42.56 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.7 mmt -123.52 -2.8 8.39 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.349 -0.54 . . . . 0.0 112.044 -175.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 10.2 pt-20 -149.59 153.15 36.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 175.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -46.51 -46.97 19.51 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -172.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.3 m -88.26 -0.19 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -174.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.417 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 31.9 t70 -64.38 -19.11 65.28 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.776 0.798 . . . . 0.0 110.492 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.7 m -98.69 136.43 38.76 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.642 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -55.09 -28.86 55.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.098 -176.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.473 ' HD1' ' C ' ' A' ' 33' ' ' TYR . 34.5 m80 -100.19 5.45 44.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.976 0.417 . . . . 0.0 111.105 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.63 31.17 77.75 Favored Glycine 0 C--O 1.225 -0.421 0 N-CA-C 115.561 0.984 . . . . 0.0 115.561 170.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.5 t -127.46 109.62 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 118.624 1.212 . . . . 0.0 111.887 174.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 m -106.8 114.82 29.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.247 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -140.45 121.5 14.67 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.4 t 60.33 70.03 0.65 Allowed 'General case' 0 C--N 1.345 0.408 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -175.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.593 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 89.6 mt -40.11 87.75 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 122.996 1.379 . . . . 0.0 113.796 -142.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -151.64 150.33 30.15 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 111.693 -2.503 . . . . 0.0 105.071 165.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.467 ' SG ' ' HB2' ' A' ' 9' ' ' MET . 64.1 m -61.12 105.3 0.47 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.222 0.534 . . . . 0.0 111.283 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.506 HD13 ' CE2' ' A' ' 33' ' ' TYR . 2.3 tm? -67.28 -45.9 75.22 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.673 -176.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 1.66 ' HE2' ' CE1' ' A' ' 33' ' ' TYR . 85.6 m-85 . . . . . 0 C--O 1.243 0.717 0 CA-C-O 118.853 -0.594 . . . . 0.0 109.684 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 1.8 mm? -111.11 175.59 5.36 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.2 mt 54.77 82.86 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 123.672 0.608 . . . . 0.0 112.185 175.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -132.61 -70.99 0.54 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.881 175.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 44.1 p -176.71 118.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 -176.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' A' ' 5' ' ' SER . 17.1 tt -179.36 158.72 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 120.632 0.254 . . . . 0.0 110.571 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.43 145.79 31.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.414 ' HB2' ' CA ' ' A' ' 22' ' ' CYS . 28.1 p -82.18 140.88 33.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.358 0.599 . . . . 0.0 111.619 -173.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 95.6 mmm -89.59 155.65 19.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.828 176.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.55 ' H ' HD11 ' A' ' 13' ' ' LEU . 23.4 mt-30 -76.15 175.26 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.459 -178.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -62.51 130.96 47.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.616 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.91 9.67 84.09 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.94 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.55 HD11 ' H ' ' A' ' 10' ' ' GLN . 16.2 mt -105.49 155.91 37.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.869 0.334 . . . . 0.0 110.566 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.439 ' O ' ' HG3' ' A' ' 9' ' ' MET . 14.3 Cg_exo -67.75 130.68 22.45 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.173 2.582 . . . . 0.0 112.131 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 14.6 p -138.67 128.44 25.0 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -107.43 -31.19 8.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.894 0.378 . . . . 0.0 110.89 -174.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -98.32 143.04 29.22 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 67.0 t60 -49.9 -44.59 50.15 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.108 0.413 . . . . 0.0 112.113 -172.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 m -84.21 -0.9 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.794 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.457 ' OD2' ' HA ' ' A' ' 15' ' ' CYS . 35.4 t0 -72.81 -13.5 61.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.741 0.782 . . . . 0.0 109.158 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.547 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 49.6 t -98.57 130.47 45.12 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.753 174.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.414 ' CA ' ' HB2' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -75.8 -9.32 58.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.0 0.428 . . . . 0.0 110.448 178.112 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -97.63 1.91 49.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.013 0.435 . . . . 0.0 110.397 174.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.84 -2.5 68.49 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 114.964 0.746 . . . . 0.0 114.964 170.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.0 t -126.39 110.7 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 118.279 1.039 . . . . 0.0 111.811 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.4 m -105.89 107.67 18.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.199 176.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.436 ' C ' ' HG ' ' A' ' 28' ' ' SER . 37.6 t70 -143.7 138.67 29.05 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.436 ' HG ' ' C ' ' A' ' 27' ' ' ASP . 30.8 p 49.6 68.95 0.65 Allowed 'General case' 0 C--N 1.348 0.505 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -171.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 83.9 mt -43.22 88.16 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 123.013 1.387 . . . . 0.0 114.072 -140.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -151.92 164.61 36.76 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 111.786 -2.461 . . . . 0.0 105.544 167.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.0 m -59.85 106.38 0.48 Allowed 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.517 168.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.5 tp -60.83 -45.01 96.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.572 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 C--O 1.251 1.156 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.927 177.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.882 -0.487 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.0 mp -102.13 148.13 25.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.6 mt 66.92 71.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.67 0.748 . . . . 0.0 109.89 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -113.91 -80.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.807 -178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -179.49 31.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.8 mt -93.46 144.52 9.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.821 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.79 159.29 30.24 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.365 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.687 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 5.5 t -76.06 139.64 41.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.378 0.609 . . . . 0.0 112.552 -175.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.0 mmm -100.94 163.59 12.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.114 175.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.484 ' H ' HD13 ' A' ' 13' ' ' LEU . 16.4 mm100 -75.54 172.03 13.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.999 0.428 . . . . 0.0 110.93 178.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -62.84 127.74 32.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.069 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.02 9.41 84.33 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.88 -0.6 . . . . 0.0 113.502 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.484 HD13 ' H ' ' A' ' 10' ' ' GLN . 11.2 mt -96.37 158.05 34.49 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 117.344 0.572 . . . . 0.0 110.635 -178.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.36 127.52 21.2 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.087 2.525 . . . . 0.0 112.485 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.699 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 31.1 p -120.23 148.7 43.34 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 177.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -118.14 -33.03 4.54 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.429 178.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.636 ' OE1' HG23 ' A' ' 19' ' ' VAL . 3.3 pt-20 -116.36 179.46 3.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.192 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -69.06 -47.73 64.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.527 0.195 . . . . 0.0 111.527 -173.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.636 HG23 ' OE1' ' A' ' 17' ' ' GLU . 4.9 m -84.53 2.44 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 111.273 -175.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.687 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 7.3 t0 -60.27 -32.16 70.9 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.211 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.447 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 83.9 m -100.83 137.03 39.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.013 173.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.402 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 79.4 m -51.94 -35.9 47.45 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 177.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -85.91 3.09 43.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 111.228 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.48 -2.49 72.0 Favored Glycine 0 C--O 1.223 -0.587 0 N-CA-C 115.546 0.979 . . . . 0.0 115.546 168.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.7 t -110.23 110.04 30.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 118.932 1.366 . . . . 0.0 112.5 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.416 ' SG ' HD23 ' A' ' 29' ' ' LEU . 9.1 t -105.89 118.32 36.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.083 175.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -148.07 134.11 19.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 118.952 -0.547 . . . . 0.0 109.884 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.6 m 55.01 68.13 0.91 Allowed 'General case' 0 C--N 1.347 0.473 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.699 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 61.7 mt -41.34 86.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 123.065 1.412 . . . . 0.0 113.944 -137.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -152.71 150.94 29.97 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 111.567 -2.561 . . . . 0.0 105.641 166.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.5 m -53.5 112.44 0.9 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 118.318 0.508 . . . . 0.0 110.822 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.43 -44.04 72.11 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.235 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.511 -0.757 . . . . 0.0 109.593 174.579 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.4 mp -123.96 126.03 45.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.798 0.299 . . . . 0.0 110.339 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.1 mt 72.29 56.06 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 121.569 0.699 . . . . 0.0 110.239 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -119.3 -91.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.775 173.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.486 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 14.8 t -175.73 138.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.351 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.486 ' HB ' ' O ' ' A' ' 5' ' ' SER . 15.4 tt 174.59 169.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.3 153.93 42.76 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.465 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 19.4 p -111.56 147.73 34.78 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.812 0.815 . . . . 0.0 112.436 -172.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.1 mmm -97.42 163.13 13.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.033 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.489 ' H ' HD11 ' A' ' 13' ' ' LEU . 74.3 mt-30 -78.8 175.62 10.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.684 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.53 ' HG3' ' OXT' ' A' ' 33' ' ' TYR . 25.0 ttmm -57.44 129.64 42.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.508 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.5 7.81 87.02 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.684 -0.689 . . . . 0.0 113.892 176.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.489 HD11 ' H ' ' A' ' 10' ' ' GLN . 14.6 mt -93.75 154.75 40.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 117.636 0.718 . . . . 0.0 110.533 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -64.85 130.68 26.73 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.208 2.605 . . . . 0.0 112.345 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.597 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 13.9 p -135.97 142.69 44.58 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.439 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.4 ' HG3' HD11 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -124.33 10.92 8.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.769 0.795 . . . . 0.0 109.425 175.311 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' CD ' HG23 ' A' ' 19' ' ' VAL . 2.0 tp10 -146.06 133.7 21.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.629 -1.168 . . . . 0.0 108.561 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -53.66 -48.04 69.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 118.006 0.366 . . . . 0.0 111.76 -175.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.442 HG23 ' CD ' ' A' ' 17' ' ' GLU . 22.0 m -80.24 -0.87 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.129 0.49 . . . . 0.0 111.115 -177.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.45 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 7.5 t70 -69.9 -19.62 63.41 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 173.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 94.2 m -101.12 137.35 39.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.92 171.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.465 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 58.0 m -64.96 -15.41 62.15 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -97.78 -6.05 33.56 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.572 174.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.95 5.84 88.81 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.841 0.696 . . . . 0.0 114.841 173.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.4 t -115.64 110.83 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 118.205 1.003 . . . . 0.0 112.178 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.1 m -106.46 123.12 47.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.221 173.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -149.56 130.87 14.64 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m 58.38 68.36 0.84 Allowed 'General case' 0 C--N 1.342 0.276 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -176.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.597 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 84.5 mt -40.31 87.95 0.0 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-O 123.139 1.447 . . . . 0.0 113.805 -141.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -151.91 158.48 43.24 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 111.482 -2.599 . . . . 0.0 105.68 166.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.1 m -59.84 105.09 0.35 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.083 0.468 . . . . 0.0 110.328 173.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.449 HD13 ' CE2' ' A' ' 33' ' ' TYR . 3.1 tm? -63.27 -45.99 88.9 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.916 -175.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 1.641 ' HE2' ' CE1' ' A' ' 33' ' ' TYR . 81.4 m-85 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.865 176.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' ' 17' ' ' GLU . . . . . . . . 0 N--CA 1.484 1.851 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.436 ' HA ' ' CB ' ' A' ' 17' ' ' GLU . 7.0 mp -78.99 149.43 32.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.0 mt 64.83 65.72 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -171.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.403 ' HB3' ' H ' ' A' ' 5' ' ' SER . 3.6 tp10 -137.26 -75.89 0.41 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.291 -174.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.452 ' H ' ' HG3' ' A' ' 17' ' ' GLU . 10.4 m -82.49 154.23 25.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.749 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.0 mm -111.88 -11.93 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.359 0.6 . . . . 0.0 110.49 -177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.464 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -75.26 142.71 43.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 176.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 14.4 p -119.8 141.19 49.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.913 0.863 . . . . 0.0 112.669 -171.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mmm -94.94 158.62 15.39 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.164 -1.38 . . . . 0.0 108.924 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.487 ' H ' HD11 ' A' ' 13' ' ' LEU . 1.5 mp0 -73.54 175.22 7.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.315 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -62.09 134.79 57.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.308 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.46 9.69 84.49 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.915 -0.66 . . . . 0.0 113.014 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.487 HD11 ' H ' ' A' ' 10' ' ' GLN . 16.1 mt -104.62 158.06 32.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 122.556 -0.379 . . . . 0.0 110.505 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -64.66 124.54 13.38 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.73 2.286 . . . . 0.0 111.611 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 15.4 p -136.67 130.57 32.35 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.2 mmt -104.78 -17.53 14.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.037 0.446 . . . . 0.0 111.066 -171.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.539 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 1.3 pm0 -131.65 152.01 51.18 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.718 173.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -46.95 -46.41 21.46 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -171.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.0 t -78.15 -9.21 12.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.203 0.525 . . . . 0.0 111.441 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.539 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 21.9 t70 -73.81 -10.36 59.59 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.55 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -101.65 137.98 39.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 164.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.51 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 57.8 m -64.64 -12.25 43.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.515 177.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -99.37 -6.72 27.32 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.74 0.305 . . . . 0.0 110.958 176.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.24 -2.68 88.06 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 115.479 0.951 . . . . 0.0 115.479 169.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.5 t -117.9 108.73 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 118.688 1.244 . . . . 0.0 111.829 -175.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 87.7 m -109.6 125.93 53.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.496 175.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.426 ' C ' ' HG ' ' A' ' 28' ' ' SER . 10.4 t70 -153.53 143.46 22.03 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 175.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.426 ' HG ' ' C ' ' A' ' 27' ' ' ASP . 6.0 p 48.81 68.12 0.75 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -173.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -42.99 88.38 0.0 OUTLIER 'General case' 0 C--O 1.231 0.093 0 CA-C-O 123.366 1.555 . . . . 0.0 114.401 -139.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.618 ' HD1' ' CD2' ' A' ' 30' ' ' PHE . 50.5 m-85 -150.76 161.51 42.5 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 110.999 -2.819 . . . . 0.0 103.402 162.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.99 119.86 9.68 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 118.676 -1.21 . . . . 0.0 109.812 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.52 -36.88 81.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.963 -172.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.423 -0.798 . . . . 0.0 110.458 177.82 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 112.257 -0.337 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.502 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 54.6 mt -65.1 124.18 21.45 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.192 0.197 . . . . 0.0 110.714 -177.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.5 mt 64.88 67.65 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.578 0.704 . . . . 0.0 110.103 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -143.79 -41.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.258 -175.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 p -144.37 -172.39 3.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.103 -174.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.6 mt -134.45 68.35 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.552 0.691 . . . . 0.0 111.329 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.515 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -95.34 161.29 14.15 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 172.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 36.4 t -135.04 129.19 33.68 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.855 0.836 . . . . 0.0 112.883 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.4 mmm -111.18 162.56 14.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.103 -1.408 . . . . 0.0 109.247 174.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.555 ' H ' HD11 ' A' ' 13' ' ' LEU . 15.5 mm100 -91.88 175.37 6.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.527 -178.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 33' ' ' TYR . 24.3 ttmm -55.99 125.63 22.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.291 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.26 9.12 80.37 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.887 -0.597 . . . . 0.0 113.837 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.555 HD11 ' H ' ' A' ' 10' ' ' GLN . 10.1 mt -97.63 155.39 37.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 117.535 0.667 . . . . 0.0 110.87 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -68.6 124.8 11.96 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.173 2.582 . . . . 0.0 111.876 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.592 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 15.2 p -129.94 135.95 48.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -122.64 7.15 9.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.44 0.638 . . . . 0.0 110.484 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.502 ' HA ' ' HA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -129.56 136.1 49.4 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.473 176.697 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -51.03 -46.79 61.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.143 0.429 . . . . 0.0 111.582 -172.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 m -88.31 2.04 6.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.183 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.618 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 36.2 t70 -62.06 -19.93 63.44 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 121.358 0.599 . . . . 0.0 110.123 -175.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.7 m -99.86 128.71 45.93 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 167.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.1 m -50.69 -27.66 7.48 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -75.63 -16.43 60.21 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.702 0.286 . . . . 0.0 111.101 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.0 12.62 76.46 Favored Glycine 0 C--O 1.227 -0.313 0 N-CA-C 115.06 0.784 . . . . 0.0 115.06 170.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 t -127.08 109.28 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 118.411 1.105 . . . . 0.0 112.058 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.9 m -107.36 123.63 48.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.417 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -149.43 134.79 18.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m 56.84 67.99 0.92 Allowed 'General case' 0 C--N 1.343 0.284 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.592 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 75.0 mt -41.48 87.49 0.0 OUTLIER 'General case' 0 C--O 1.234 0.257 0 CA-C-O 122.97 1.367 . . . . 0.0 113.7 -140.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -152.17 158.77 43.37 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 111.497 -2.592 . . . . 0.0 105.023 167.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.8 m -57.36 106.07 0.3 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 118.44 0.564 . . . . 0.0 110.046 173.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.86 -42.61 94.06 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.025 -175.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 1.605 ' HD1' ' CD2' ' A' ' 33' ' ' TYR . 65.4 m-85 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.694 174.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 17' ' ' GLU . 2.0 mm? 57.83 -156.53 0.31 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.523 0.329 . . . . 0.0 110.332 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.507 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 26.2 mm 58.97 87.2 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 O-C-N 123.336 0.398 . . . . 0.0 111.48 176.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.56 -61.11 0.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.891 0.377 . . . . 0.0 110.944 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 p -68.53 173.0 5.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.991 -174.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.448 HD11 ' N ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -133.18 15.13 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.695 0.76 . . . . 0.0 109.644 175.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.28 160.44 14.82 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.382 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 8.8 t -128.62 123.08 32.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.627 0.727 . . . . 0.0 112.575 -177.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.536 ' SD ' HD21 ' A' ' 13' ' ' LEU . 18.9 mmt -95.17 154.01 17.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.991 171.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.457 ' H ' HD23 ' A' ' 13' ' ' LEU . 16.5 mm100 -98.23 176.21 5.8 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.158 175.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -54.02 128.26 29.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.033 0.444 . . . . 0.0 111.792 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.68 -2.25 82.28 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.369 176.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.536 HD21 ' SD ' ' A' ' 9' ' ' MET . 11.1 mp -93.75 152.92 41.07 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.917 0.359 . . . . 0.0 110.485 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -68.73 120.75 7.65 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.871 2.381 . . . . 0.0 112.021 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 12.4 p -130.36 141.11 50.58 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.7 mmt -104.2 -35.86 7.87 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.209 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.507 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 1.2 pm0 -128.47 153.34 47.25 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.873 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -45.26 -44.37 11.23 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -173.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.9 m -76.85 -2.03 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -173.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.559 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 6.2 t70 -79.4 -17.59 54.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.731 0.777 . . . . 0.0 109.076 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.3 m -101.26 134.25 44.6 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.08 174.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 64.5 m -57.14 -30.45 64.44 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.732 0.301 . . . . 0.0 111.023 171.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -87.93 3.47 48.45 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.573 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.34 -2.09 22.98 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 115.731 1.053 . . . . 0.0 115.731 170.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.6 t -116.89 109.75 28.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 118.701 1.25 . . . . 0.0 112.383 -175.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 38.3 m -108.1 125.44 51.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.35 171.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -154.36 133.72 12.64 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t 57.62 68.2 0.87 Allowed 'General case' 0 C--N 1.343 0.316 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -175.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.1 mt -42.76 87.56 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 123.152 1.453 . . . . 0.0 113.889 -142.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.67 ' HE1' ' CE2' ' A' ' 30' ' ' PHE . 41.5 m-85 -152.14 153.82 34.63 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 111.591 -2.549 . . . . 0.0 104.463 164.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.27 110.67 1.0 Allowed 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.601 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.35 -46.79 72.34 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.572 -167.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.257 179.639 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.44 ' N ' HD13 ' A' ' 2' ' ' LEU . 5.5 mp -85.03 155.4 21.56 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.8 mt 68.98 66.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.799 0.809 . . . . 0.0 109.907 -175.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -133.58 -69.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.289 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 p -90.32 167.54 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.225 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 6' ' ' ILE . 22.1 mm -123.55 38.56 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.86 0.838 . . . . 0.0 110.886 -176.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.62 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -94.64 156.85 16.23 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 171.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.419 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 13.3 p -148.32 145.1 27.99 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.596 -0.842 . . . . 0.0 112.233 178.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 87.5 mmm -100.29 157.79 16.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.689 -1.141 . . . . 0.0 109.944 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.511 ' H ' HD11 ' A' ' 13' ' ' LEU . 16.2 mm100 -79.52 177.28 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.847 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HB2' ' HZ3' ' A' ' 11' ' ' LYS . 3.7 ttmp? -53.44 130.85 36.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.374 178.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.82 4.95 90.17 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.971 -0.633 . . . . 0.0 113.17 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.511 HD11 ' H ' ' A' ' 10' ' ' GLN . 12.0 mt -100.33 153.55 37.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 117.178 0.489 . . . . 0.0 110.847 -176.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.42 ' O ' ' HG3' ' A' ' 9' ' ' MET . 14.5 Cg_exo -68.36 129.11 18.49 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.314 2.676 . . . . 0.0 112.346 -178.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 14.5 p -141.22 131.78 25.45 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.404 ' HG3' HD12 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -114.35 -31.4 6.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.317 0.579 . . . . 0.0 110.047 -177.042 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.489 ' HB3' ' HB2' ' A' ' 20' ' ' ASP . 1.4 tp10 -83.57 136.35 34.28 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -50.03 -47.83 53.04 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -171.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -87.48 -0.42 7.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.133 -176.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.62 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 23.5 t70 -70.03 -5.02 23.68 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 121.328 0.585 . . . . 0.0 109.913 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.401 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 53.3 t -99.41 130.11 45.65 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 167.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.419 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 69.3 m -65.8 -10.7 40.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.7 0.286 . . . . 0.0 111.03 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -104.56 5.97 34.26 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.757 0.313 . . . . 0.0 110.829 176.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.91 -2.46 74.57 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 115.469 0.947 . . . . 0.0 115.469 167.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.9 t -124.04 110.49 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 118.533 1.167 . . . . 0.0 111.877 -176.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.0 m -106.43 109.05 20.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.422 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -142.64 147.16 35.32 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 p 48.66 66.76 0.99 Allowed 'General case' 0 C--N 1.346 0.441 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -173.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.404 HD12 ' HG3' ' A' ' 16' ' ' MET . 80.5 mt -42.92 87.89 0.0 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-O 123.257 1.503 . . . . 0.0 113.631 -138.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -152.3 169.61 22.08 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 111.259 -2.701 . . . . 0.0 105.098 168.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.67 108.63 0.51 Allowed 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.446 166.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.98 -45.17 94.8 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.849 -178.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 1.644 ' HE2' ' CE1' ' A' ' 33' ' ' TYR . 82.7 m-85 . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.121 174.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.783 -0.527 . . . . 0.0 111.783 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.9 mp -81.64 143.68 31.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.765 0.282 . . . . 0.0 110.701 -177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.438 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 45.0 mt 58.84 79.55 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 121.371 0.605 . . . . 0.0 110.995 -178.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -135.68 -50.4 0.72 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.613 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 t -125.88 -172.92 2.71 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.2 mt -131.75 65.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.558 0.694 . . . . 0.0 110.832 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.13 160.66 14.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.283 172.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 18.2 t -132.49 119.31 20.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.597 0.713 . . . . 0.0 112.638 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.8 mmm -101.7 158.07 16.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.51 170.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.453 ' H ' HD23 ' A' ' 13' ' ' LEU . 16.0 mm100 -89.38 175.86 7.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.59 0.233 . . . . 0.0 111.054 -178.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -56.06 130.02 42.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.419 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.74 0.91 90.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.98 -0.628 . . . . 0.0 113.339 176.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.453 HD23 ' H ' ' A' ' 10' ' ' GLN . 10.4 mp -94.86 152.52 39.74 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.906 0.353 . . . . 0.0 110.311 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.17 121.0 8.69 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.81 2.34 . . . . 0.0 112.155 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.527 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 17.0 p -128.46 135.58 49.66 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.5 mmt -107.04 -18.5 13.89 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.536 -0.465 . . . . 0.0 112.088 -170.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 13.6 pt-20 -130.19 151.88 50.23 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.285 177.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -45.5 -46.42 13.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.74 0.65 . . . . 0.0 112.712 -172.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.4 m -88.05 -1.06 8.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -173.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.527 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 21.2 t70 -63.82 -20.64 65.95 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.194 0.521 . . . . 0.0 111.207 -174.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -100.67 138.06 38.23 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 170.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.6 m -52.6 -24.39 8.25 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 174.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -87.26 -8.57 56.64 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.728 0.299 . . . . 0.0 111.023 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.31 15.6 78.87 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 115.564 0.986 . . . . 0.0 115.564 169.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.2 t -127.54 109.71 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 118.706 1.253 . . . . 0.0 111.882 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 56.7 m -107.68 117.27 33.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.342 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -144.21 126.25 15.46 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 t 60.73 69.53 0.68 Allowed 'General case' 0 C--N 1.346 0.418 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 -175.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.471 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 97.4 mt -41.07 87.52 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 123.164 1.459 . . . . 0.0 113.792 -141.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.664 ' HD1' ' CD2' ' A' ' 30' ' ' PHE . 71.7 m-85 -151.62 151.17 31.14 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 111.595 -2.548 . . . . 0.0 104.497 165.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.9 t -59.11 113.53 2.16 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.395 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -70.26 -46.73 63.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.239 -170.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.876 -178.588 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.456 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.483 1.767 0 N-CA-C 112.315 -0.314 . . . . 0.0 112.315 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.456 HD13 ' C ' ' A' ' 1' ' ' GLY . 7.7 mp -131.74 140.88 49.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 177.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.5 mt 73.49 51.64 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 121.988 0.899 . . . . 0.0 109.867 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -131.4 -147.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.278 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.503 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 11.9 m -79.38 -133.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.731 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.503 ' HB ' ' O ' ' A' ' 5' ' ' SER . 79.1 mt 80.75 138.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-O 121.412 0.625 . . . . 0.0 112.075 173.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.96 159.67 27.58 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.394 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.625 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 3.3 t -84.85 139.35 31.96 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.436 0.636 . . . . 0.0 112.364 -174.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.1 mmm -99.92 166.28 11.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.12 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.542 ' H ' HD11 ' A' ' 13' ' ' LEU . 14.2 mm100 -82.94 171.93 13.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.256 0.551 . . . . 0.0 111.31 -177.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -62.13 131.34 49.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.445 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.1 8.54 85.43 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 113.359 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.542 HD11 ' H ' ' A' ' 10' ' ' GLN . 13.5 mt -97.34 155.53 37.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 117.264 0.532 . . . . 0.0 110.595 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -69.35 121.89 8.67 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.065 2.51 . . . . 0.0 111.897 -178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.575 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 15.4 p -115.49 144.76 43.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.9 mmt -127.8 12.37 6.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.527 0.68 . . . . 0.0 110.095 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 20' ' ' ASP . 2.9 tp10 -146.65 137.41 23.99 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.001 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -51.77 -46.08 64.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.958 0.408 . . . . 0.0 111.355 -176.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.3 m -87.21 1.48 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.184 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.625 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 27.3 t70 -61.39 -30.0 70.27 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.53 0.681 . . . . 0.0 109.736 -179.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 60.8 m -98.95 135.59 40.15 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.187 173.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 99.0 m -51.76 -34.33 38.99 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -80.82 -6.04 58.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.83 0.348 . . . . 0.0 111.404 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.64 27.41 73.21 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 114.659 0.623 . . . . 0.0 114.659 171.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.3 t -127.11 109.59 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 117.891 0.846 . . . . 0.0 111.332 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.1 m -106.77 120.95 43.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.12 0.486 . . . . 0.0 111.4 174.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -148.93 139.31 22.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 p 48.89 68.29 0.73 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -175.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.575 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 90.1 mt -40.8 88.47 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 123.238 1.494 . . . . 0.0 113.878 -141.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.644 ' HE2' ' CE1' ' A' ' 30' ' ' PHE . 58.8 m-85 -151.0 157.6 43.09 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 111.498 -2.592 . . . . 0.0 105.243 168.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.1 m -57.73 104.33 0.18 Allowed 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 173.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.89 -41.48 97.93 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.315 -173.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 1.632 ' HE1' ' CE2' ' A' ' 33' ' ' TYR . 72.3 m-85 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.909 175.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.4 mt -124.09 -171.53 2.35 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.1 mt 59.8 73.9 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 121.3 0.572 . . . . 0.0 110.816 -176.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -143.41 97.7 3.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.385 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.412 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 11.8 t 61.16 -150.57 0.4 Allowed 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.412 ' HB ' ' O ' ' A' ' 5' ' ' SER . 46.1 mm 75.47 130.17 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.295 0.569 . . . . 0.0 112.315 171.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.2 158.89 28.84 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.418 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 14.5 p -95.31 145.53 25.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.38 0.609 . . . . 0.0 111.685 -174.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.44 ' HG2' ' O ' ' A' ' 20' ' ' ASP . 16.9 ptp -108.62 171.26 7.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.761 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.437 ' OE1' ' HA ' ' A' ' 10' ' ' GLN . 15.1 mm-40 -83.55 175.66 9.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.628 -173.322 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -60.69 135.02 57.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.807 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.0 9.19 84.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.069 -0.586 . . . . 0.0 113.85 174.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.432 HD13 ' H ' ' A' ' 10' ' ' GLN . 45.8 mt -98.75 155.77 36.33 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 117.222 0.511 . . . . 0.0 110.141 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -72.43 119.71 6.3 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.036 2.491 . . . . 0.0 112.388 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.68 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 29.1 p -112.22 160.64 17.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.375 -174.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.7 mmt -120.03 -25.81 5.7 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 176.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -140.85 173.73 11.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.627 0.251 . . . . 0.0 111.23 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -55.27 -47.28 75.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.142 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.2 m -79.54 -7.75 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -172.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.44 ' O ' ' HG2' ' A' ' 9' ' ' MET . 41.7 t0 -66.53 -26.09 66.98 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 176.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 81.0 m -100.34 136.26 40.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.425 175.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.418 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 82.6 m -65.59 -15.58 62.87 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.551 ' HD1' ' C ' ' A' ' 33' ' ' TYR . 25.9 m170 -105.51 8.02 33.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.875 0.369 . . . . 0.0 111.157 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.19 -2.54 70.09 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 115.97 1.148 . . . . 0.0 115.97 167.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 t -114.66 110.03 30.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 119.101 1.451 . . . . 0.0 112.537 -175.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.6 t -106.62 116.93 32.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.594 174.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -149.37 134.07 17.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 118.921 -0.561 . . . . 0.0 109.814 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.5 t 56.16 67.78 0.95 Allowed 'General case' 0 C--N 1.345 0.411 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.68 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 85.1 mt -41.21 85.93 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 123.006 1.384 . . . . 0.0 113.481 -137.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -152.78 148.08 26.8 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 111.699 -2.501 . . . . 0.0 105.608 167.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.4 m -60.59 104.33 0.33 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.064 0.459 . . . . 0.0 110.535 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.437 HD21 ' CE2' ' A' ' 33' ' ' TYR . 25.3 tp -60.49 -45.24 94.49 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.045 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.551 ' C ' ' HD1' ' A' ' 23' ' ' HIS . 75.6 m-85 . . . . . 0 C--O 1.243 0.711 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.789 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.774 -0.53 . . . . 0.0 111.774 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.505 ' HG ' ' HA ' ' A' ' 17' ' ' GLU . 5.7 mp -95.76 153.73 17.59 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 3' ' ' ILE . 33.2 mt 70.5 48.97 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 121.895 0.855 . . . . 0.0 110.751 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -129.35 -101.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.586 172.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -157.36 91.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.73 0.3 . . . . 0.0 111.009 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.9 mt -138.36 139.18 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 120.651 0.262 . . . . 0.0 110.534 -178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.53 159.17 34.36 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.04 0.536 . . . . 0.0 111.799 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 8.7 t -82.4 138.37 34.46 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.641 0.734 . . . . 0.0 112.319 -175.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.5 mmm -107.46 171.11 7.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.009 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.492 ' H ' HD11 ' A' ' 13' ' ' LEU . 16.4 mm100 -89.21 170.01 10.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.059 0.457 . . . . 0.0 111.177 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -59.78 134.04 56.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.965 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.91 -3.1 85.99 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.018 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.492 HD11 ' H ' ' A' ' 10' ' ' GLN . 25.4 mt -95.21 154.2 39.55 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.34 122.29 10.41 Favored 'Trans proline' 0 C--O 1.229 0.046 0 C-N-CA 122.762 2.308 . . . . 0.0 112.033 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.515 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 22.0 p -109.77 152.27 25.9 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.557 ' SD ' HD11 ' A' ' 29' ' ' LEU . 22.6 mmt -131.41 1.79 4.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.883 0.373 . . . . 0.0 111.171 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HA ' ' HG ' ' A' ' 2' ' ' LEU . 1.0 OUTLIER -151.61 160.18 43.76 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.607 -174.333 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -62.86 -48.22 79.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.796 0.331 . . . . 0.0 110.273 178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 32.6 m -82.53 -0.99 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.043 -178.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.551 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 11.7 t70 -63.51 -30.46 71.58 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 169.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.6 m -99.45 125.81 45.24 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.67 169.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.41 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 81.6 m -55.65 -21.85 19.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.446 175.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -98.37 9.1 43.87 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.6 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.63 -3.05 65.09 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 115.781 1.072 . . . . 0.0 115.781 168.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.3 t -113.6 110.05 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 118.69 1.245 . . . . 0.0 112.705 -175.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.3 t -106.31 113.86 27.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.329 173.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -137.68 141.79 41.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.587 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 p 44.71 67.86 0.64 Allowed 'General case' 0 C--N 1.352 0.695 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.557 HD11 ' SD ' ' A' ' 16' ' ' MET . 88.4 mt -40.51 86.72 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 123.057 1.408 . . . . 0.0 113.533 -137.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -152.18 143.1 23.04 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 111.739 -2.482 . . . . 0.0 105.545 166.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.1 t -57.51 111.85 1.24 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.073 0.463 . . . . 0.0 110.032 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.459 HD13 ' CE2' ' A' ' 33' ' ' TYR . 2.6 tm? -73.09 -47.24 46.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.435 -167.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.459 ' CE2' HD13 ' A' ' 32' ' ' LEU . 67.6 m-85 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.401 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.421 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 55.6 mt 76.84 154.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 123.587 0.554 . . . . 0.0 111.131 176.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 5' ' ' SER . 42.3 tt0 78.21 139.96 0.07 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.967 0.907 . . . . 0.0 110.418 -177.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 50.8 m 73.98 167.31 0.3 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.168 0.587 . . . . 0.0 110.578 -175.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.9 mt -143.2 85.94 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-O 121.131 0.491 . . . . 0.0 111.303 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 20' ' ' ASP . . . -94.03 160.77 14.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.001 173.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -130.3 112.99 13.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.887 0.851 . . . . 0.0 112.191 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mmm -116.45 143.87 45.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.319 -1.31 . . . . 0.0 108.948 171.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.521 ' H ' HD12 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -71.35 163.63 27.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.349 -175.644 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -61.75 127.65 32.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.744 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.95 1.02 63.42 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.901 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.521 HD12 ' H ' ' A' ' 10' ' ' GLN . 16.4 mt -94.84 154.45 39.82 Favored Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 122.625 -0.338 . . . . 0.0 110.48 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -66.94 123.43 10.98 Favored 'Trans proline' 0 CA--C 1.521 -0.162 0 C-N-CA 122.884 2.389 . . . . 0.0 112.267 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.602 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 13.7 p -131.38 138.57 49.19 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.9 mmt -118.23 -19.89 8.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.541 0.686 . . . . 0.0 109.762 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HG2' HG22 ' A' ' 19' ' ' VAL . 41.6 tt0 -107.47 131.09 54.68 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.275 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -55.65 -34.48 65.0 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.231 -171.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.461 HG22 ' HG2' ' A' ' 17' ' ' GLU . 28.9 m -88.58 -0.36 7.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.54 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.441 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 19.4 t70 -66.3 -18.67 65.49 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.779 0.8 . . . . 0.0 110.238 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.51 137.26 35.86 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.043 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -25.45 62.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.976 -175.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -93.5 -6.81 45.98 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 111.295 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.87 27.84 68.09 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 114.28 0.472 . . . . 0.0 114.28 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.6 t -126.56 109.0 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 118.031 0.915 . . . . 0.0 111.833 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.1 m -106.36 127.15 53.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.398 170.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -147.87 128.52 14.19 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 m 57.66 69.42 0.74 Allowed 'General case' 0 C--N 1.343 0.316 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.602 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 93.5 mt -41.09 88.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 123.158 1.456 . . . . 0.0 114.188 -139.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -152.09 149.12 28.46 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 111.588 -2.551 . . . . 0.0 105.603 164.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.4 m -57.86 110.32 0.89 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.155 0.502 . . . . 0.0 110.945 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.527 HD12 ' CE2' ' A' ' 33' ' ' TYR . 2.1 tm? -72.65 -44.05 62.4 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.979 -174.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.527 ' CE2' HD12 ' A' ' 32' ' ' LEU . 75.7 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.049 -0.976 . . . . 0.0 109.428 175.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.423 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 8.9 mp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.4 mt 68.6 67.33 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 109.982 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -146.24 -55.53 0.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.188 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 p -118.1 125.23 49.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.801 -175.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.4 ' O ' HG22 ' A' ' 6' ' ' ILE . 23.6 mt -98.43 44.73 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-O 121.742 0.782 . . . . 0.0 111.58 -168.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.741 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -94.32 143.08 26.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 167.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.485 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 14.1 p -133.82 148.01 51.28 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.199 -1.001 . . . . 0.0 113.349 -171.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 81.3 mmm -100.79 142.94 31.55 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.1 -1.409 . . . . 0.0 108.166 172.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -76.91 175.67 9.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.78 0.324 . . . . 0.0 111.794 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -47.52 129.72 13.53 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.869 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.25 9.01 70.71 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 113.992 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.435 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 73.6 mt -114.46 152.38 46.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 117.682 0.741 . . . . 0.0 111.309 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 15.4 Cg_exo -66.7 132.03 27.59 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.289 2.66 . . . . 0.0 112.472 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 21.8 p -138.5 128.6 25.6 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.452 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -112.26 1.96 16.37 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.527 0.68 . . . . 0.0 110.685 -173.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' OE2' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -126.35 138.45 53.57 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.042 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 85.3 t60 -49.51 -47.67 48.64 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -171.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG22 ' OE2' ' A' ' 17' ' ' GLU . 35.6 m -87.93 0.43 7.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.842 -178.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.741 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 28.3 t70 -72.29 -4.47 29.84 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.416 0.626 . . . . 0.0 109.769 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 50.3 t -99.08 134.84 41.35 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 170.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.485 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 72.0 m -67.85 -10.26 51.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.693 0.282 . . . . 0.0 111.091 178.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -101.28 -0.97 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.753 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.17 -2.4 65.93 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 114.61 0.604 . . . . 0.0 114.61 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.8 t -120.19 108.92 24.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 117.854 0.827 . . . . 0.0 111.564 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 86.2 m -107.41 109.14 20.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.167 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -136.79 130.95 32.68 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m 58.11 68.34 0.85 Allowed 'General case' 0 C--N 1.343 0.313 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 -175.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 86.3 mt -41.28 88.48 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 123.015 1.388 . . . . 0.0 113.733 -140.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -152.2 165.14 35.77 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 111.489 -2.596 . . . . 0.0 105.076 166.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.9 m -57.69 112.43 1.45 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.05 169.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.01 -36.56 84.81 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.878 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.364 -0.827 . . . . 0.0 109.856 175.468 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 17' ' ' GLU . 9.3 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 55.1 mt 62.92 80.45 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 121.19 0.519 . . . . 0.0 110.423 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -135.69 -71.87 0.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.513 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -170.93 53.82 0.03 OUTLIER 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 111.816 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.1 mt -124.28 134.93 65.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.691 0.281 . . . . 0.0 110.409 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.21 158.44 19.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 74.0 m -57.74 140.35 51.69 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -173.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.613 ' HG3' ' SG ' ' A' ' 31' ' ' CYS . 8.1 ptp -120.19 165.49 14.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.09 169.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -90.88 171.86 9.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.12 0.486 . . . . 0.0 111.739 -173.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -58.53 129.42 41.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.442 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.91 -3.61 58.78 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.488 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.448 ' HB3' ' SD ' ' A' ' 9' ' ' MET . 11.1 mp -94.07 154.39 40.64 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 117.378 0.589 . . . . 0.0 110.51 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.458 ' O ' ' HE1' ' A' ' 9' ' ' MET . 3.6 Cg_exo -76.42 119.38 5.22 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.06 2.507 . . . . 0.0 112.085 -178.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 29.8 p -106.97 154.72 20.67 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -175.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.2 mmt -120.75 -33.16 3.85 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.405 -0.518 . . . . 0.0 112.048 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.476 ' OE2' HG22 ' A' ' 19' ' ' VAL . 9.2 pt-20 -120.9 170.75 9.19 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.197 177.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -58.45 -47.62 83.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.476 HG22 ' OE2' ' A' ' 17' ' ' GLU . 18.9 m -87.21 3.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -174.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.47 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 38.0 t0 -59.23 -34.71 72.53 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.735 0.779 . . . . 0.0 109.308 -177.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 62.4 m -99.06 136.11 39.5 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -11.58 56.15 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -174.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -83.12 -16.22 47.68 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.508 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.3 15.77 63.76 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.063 -0.589 . . . . 0.0 114.514 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.0 t -126.59 110.35 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 118.519 1.159 . . . . 0.0 111.795 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 t -106.26 121.86 45.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.868 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -154.34 141.85 19.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 118.948 -0.549 . . . . 0.0 109.778 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.5 m 53.2 66.79 1.13 Allowed 'General case' 0 C--N 1.347 0.496 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.672 HD22 ' H ' ' A' ' 29' ' ' LEU . 3.1 mm? -41.37 86.74 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 122.748 1.261 . . . . 0.0 113.287 -137.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -153.17 154.87 35.6 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 112.169 -2.287 . . . . 0.0 106.054 167.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.613 ' SG ' ' HG3' ' A' ' 9' ' ' MET . 67.1 m -55.68 105.27 0.17 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.074 0.464 . . . . 0.0 110.641 174.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.457 HD12 ' CE2' ' A' ' 33' ' ' TYR . 2.5 tm? -64.72 -40.3 95.1 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.599 -176.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.457 ' CE2' HD12 ' A' ' 32' ' ' LEU . 71.9 m-85 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.025 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 17' ' ' GLU . 5.6 mp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.515 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 51.3 mt 61.18 74.25 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 121.439 0.637 . . . . 0.0 110.798 -176.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -150.89 -40.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.892 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 t -126.97 119.22 26.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.169 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.8 mt -94.08 77.36 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.392 0.615 . . . . 0.0 111.577 -171.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.416 ' HB3' ' OD1' ' A' ' 20' ' ' ASP . . . -94.64 159.77 14.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 168.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 t -121.56 115.18 22.32 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.898 177.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.9 mmm -94.53 151.21 19.52 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.911 172.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.599 ' H ' HD12 ' A' ' 13' ' ' LEU . 85.9 mm-40 -73.9 170.36 15.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.602 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -64.42 130.41 43.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.14 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.98 3.84 85.04 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.007 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.599 HD12 ' H ' ' A' ' 10' ' ' GLN . 11.5 mt -97.66 155.4 37.25 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 117.145 0.472 . . . . 0.0 110.673 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 15.9 Cg_exo -67.57 121.54 8.64 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.903 2.402 . . . . 0.0 111.854 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 22.2 p -123.58 135.52 54.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.3 mmt -99.33 -15.04 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.672 -170.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 13.0 pt-20 -147.02 155.24 42.08 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -49.42 -46.03 47.13 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -172.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.0 m -81.65 -0.75 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -175.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.481 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 23.5 t70 -79.3 -19.01 51.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.943 0.877 . . . . 0.0 109.126 175.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.9 t -100.07 132.22 45.56 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.178 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -10.92 19.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 174.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -101.26 -3.09 29.58 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.169 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.16 -2.65 50.72 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 114.77 0.668 . . . . 0.0 114.77 173.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.49 108.65 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 117.997 0.899 . . . . 0.0 111.161 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.7 m -108.71 108.99 20.05 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.582 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -139.88 140.51 36.49 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 176.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.6 p 49.71 68.79 0.68 Allowed 'General case' 0 C--N 1.346 0.42 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -173.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 94.0 mt -41.3 89.11 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 123.009 1.385 . . . . 0.0 113.711 -141.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -151.25 161.38 42.82 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 111.631 -2.531 . . . . 0.0 104.843 166.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.8 m -57.18 105.97 0.28 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.531 170.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.63 -42.85 93.64 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.73 -173.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.378 177.522 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.411 ' N ' ' HB2' ' A' ' 17' ' ' GLU . 12.5 tt 37.79 86.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.18 0.992 . . . . 0.0 113.465 178.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -130.39 -20.61 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.905 177.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.505 ' O ' HG21 ' A' ' 19' ' ' VAL . 13.1 t -137.23 -167.06 2.03 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.0 mt -132.73 33.95 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 122.048 0.927 . . . . 0.0 109.697 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -94.62 150.09 20.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.079 174.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.8 p -140.54 148.83 41.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 119.798 -0.761 . . . . 0.0 112.063 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.426 ' HB3' ' HB2' ' A' ' 13' ' ' LEU . 86.4 mmm -103.34 150.81 23.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.232 177.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.578 ' H ' HD12 ' A' ' 13' ' ' LEU . 2.0 mp0 -69.3 170.7 9.77 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.111 -178.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -57.29 125.94 25.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.145 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.38 6.17 81.38 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.135 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.578 HD12 ' H ' ' A' ' 10' ' ' GLN . 18.7 mt -98.83 151.44 37.41 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.868 0.334 . . . . 0.0 110.249 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.416 ' O ' ' HG3' ' A' ' 9' ' ' MET . 20.4 Cg_exo -64.54 121.5 9.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.993 2.462 . . . . 0.0 111.981 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.511 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 15.9 p -128.67 135.91 49.91 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.7 mmt -110.11 -16.19 13.85 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -170.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.603 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 14.0 pt-20 -127.21 153.33 46.23 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -50.16 -39.8 44.67 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -170.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 5' ' ' SER . 22.8 m -86.34 -4.63 9.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -175.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.603 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 25.6 t70 -77.72 -0.34 26.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.606 0.717 . . . . 0.0 109.965 -177.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.9 t -100.65 125.38 47.05 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 168.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.8 m -63.16 -10.6 15.76 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.681 0.277 . . . . 0.0 111.544 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -109.49 13.33 24.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.004 0.43 . . . . 0.0 110.902 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.6 -2.38 78.85 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 115.322 0.889 . . . . 0.0 115.322 167.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.3 t -125.41 112.66 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 118.406 1.103 . . . . 0.0 112.077 -176.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.0 m -105.58 114.87 29.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.895 173.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -144.15 134.89 25.01 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 m 57.33 67.94 0.91 Allowed 'General case' 0 C--N 1.34 0.19 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.49 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 96.3 mt -40.9 88.48 0.0 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-O 123.035 1.398 . . . . 0.0 113.736 -140.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -151.25 154.78 37.46 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 111.707 -2.497 . . . . 0.0 105.75 168.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.4 t -61.26 104.08 0.36 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 174.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.61 -47.65 71.98 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.99 -164.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.526 -176.849 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.522 ' HG ' ' HA ' ' A' ' 17' ' ' GLU . 10.6 mp . . . . . 0 N--CA 1.47 0.555 0 CA-C-O 120.85 0.357 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.9 mt 66.22 76.13 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.089 0.471 . . . . 0.0 111.113 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -139.63 -62.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.107 0.48 . . . . 0.0 110.377 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 19' ' ' VAL . 32.8 m -114.2 117.77 32.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.31 -177.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.7 mt -84.3 83.3 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.723 0.773 . . . . 0.0 110.645 -173.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.75 162.58 13.87 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.26 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.7 t -122.2 136.37 54.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.463 0.649 . . . . 0.0 111.599 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.435 ' SD ' ' HB3' ' A' ' 15' ' ' CYS . 10.4 ptp -143.7 164.43 30.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.864 -1.062 . . . . 0.0 108.698 177.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -99.93 172.69 7.07 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.932 0.396 . . . . 0.0 110.988 -177.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -58.93 131.97 52.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.247 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.78 -4.31 63.36 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.108 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mp -91.21 150.3 41.31 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 30' ' ' PHE . 4.3 Cg_exo -78.91 118.81 4.17 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.729 2.286 . . . . 0.0 111.714 -177.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 14.8 p -110.52 140.1 45.12 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.0 mmt -109.84 -14.47 14.29 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.332 -0.547 . . . . 0.0 112.053 -172.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 15.3 pt-20 -140.19 150.74 44.55 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.26 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -45.64 -44.87 13.58 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.48 0.487 . . . . 0.0 112.224 -174.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 5' ' ' SER . 29.6 m -87.61 1.02 6.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -175.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.545 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 23.2 t0 -65.94 -21.31 66.42 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.723 0.773 . . . . 0.0 109.766 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.8 m -99.8 135.06 41.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.842 171.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -27.18 69.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.298 0.57 . . . . 0.0 110.692 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -83.95 -3.17 57.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.647 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.76 20.7 77.67 Favored Glycine 0 C--O 1.225 -0.45 0 N-CA-C 115.732 1.053 . . . . 0.0 115.732 168.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -127.51 109.62 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 118.968 1.384 . . . . 0.0 112.139 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.3 m -108.29 123.32 48.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.542 173.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -148.69 129.31 14.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.2 m 58.03 68.13 0.87 Allowed 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 64.8 mt -41.03 87.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 123.143 1.449 . . . . 0.0 113.714 -142.026 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 14' ' ' PRO . 44.4 m-85 -151.77 150.63 30.38 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 111.327 -2.669 . . . . 0.0 104.715 164.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.7 t -58.33 109.04 0.7 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.031 0.444 . . . . 0.0 110.042 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.16 -39.51 89.83 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.858 -171.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.767 175.726 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.9 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.9 mt 72.72 65.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.629 0.728 . . . . 0.0 110.496 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -139.57 -72.52 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.418 173.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.406 ' O ' HG23 ' A' ' 19' ' ' VAL . 17.1 p -90.73 122.01 33.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.416 -175.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.4 mt -103.19 56.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.531 0.682 . . . . 0.0 111.191 -171.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.43 136.4 35.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.3 m -95.77 136.37 36.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.217 0.532 . . . . 0.0 111.842 -176.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.572 ' SD ' ' HB2' ' A' ' 31' ' ' CYS . 5.9 ptp -114.41 163.75 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.162 174.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -83.94 165.75 18.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.882 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.36 136.66 58.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.206 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.11 -21.39 37.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 113.212 175.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.54 ' HB2' ' SD ' ' A' ' 9' ' ' MET . 88.0 mt -78.55 152.45 78.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.757 0.279 . . . . 0.0 110.355 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.425 ' O ' ' HE1' ' A' ' 9' ' ' MET . 8.7 Cg_exo -70.0 119.78 6.65 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.546 2.164 . . . . 0.0 111.753 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 20.8 p -112.71 135.57 53.3 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.438 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -127.06 14.37 7.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 122.241 1.02 . . . . 0.0 108.487 175.855 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 20' ' ' ASP . 5.1 tp10 -134.28 137.71 44.47 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 113.55 -1.659 . . . . 0.0 107.938 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -67.69 -42.06 82.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.102 -172.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 5' ' ' SER . 28.7 m -87.66 2.36 5.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.497 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.487 ' HB2' ' HB3' ' A' ' 17' ' ' GLU . 15.4 t0 -61.9 -26.3 68.08 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.84 0.828 . . . . 0.0 109.747 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.9 m -99.08 135.26 40.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.026 172.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -20.92 65.29 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.92 0.391 . . . . 0.0 111.141 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -84.93 -7.15 59.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.01 24.18 74.45 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 114.646 0.619 . . . . 0.0 114.646 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.8 t -126.21 108.78 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 118.239 1.019 . . . . 0.0 111.973 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.7 t -107.7 113.27 26.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 170.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -147.2 135.16 21.35 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.267 -175.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.9 t 55.42 67.78 0.96 Allowed 'General case' 0 C--N 1.346 0.425 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.558 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 81.0 mt -43.35 86.31 0.0 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-O 122.998 1.38 . . . . 0.0 113.675 -140.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -152.93 147.77 26.35 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 111.652 -2.522 . . . . 0.0 105.122 165.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.572 ' HB2' ' SD ' ' A' ' 9' ' ' MET . 7.3 t -59.15 111.58 1.39 Allowed 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.422 HD23 ' CE2' ' A' ' 33' ' ' TYR . 19.9 tp -73.14 -44.42 60.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.667 -174.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.422 ' CE2' HD23 ' A' ' 32' ' ' LEU . 80.3 m-85 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.644 -0.693 . . . . 0.0 110.2 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.465 ' HG ' ' HA ' ' A' ' 17' ' ' GLU . 9.2 mp . . . . . 0 N--CA 1.47 0.565 0 CA-C-O 120.596 0.236 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.436 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 36.2 mm 58.99 81.4 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-O 120.96 0.41 . . . . 0.0 111.308 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -136.27 -44.07 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.1 0.476 . . . . 0.0 110.792 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -135.93 -175.61 4.03 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.619 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.5 mt -125.98 65.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.615 0.722 . . . . 0.0 110.126 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.37 160.77 14.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.376 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 43.1 t -137.64 153.13 49.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.302 0.572 . . . . 0.0 111.806 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.544 ' SD ' ' HB3' ' A' ' 15' ' ' CYS . 7.6 ptp -144.16 168.92 18.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.118 -177.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -90.2 170.27 10.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.048 175.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -66.65 130.84 44.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.993 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.78 -0.31 48.8 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.978 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 11.1 mp -95.82 152.51 39.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 30' ' ' PHE . 5.6 Cg_exo -77.34 118.73 4.72 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.918 2.412 . . . . 0.0 111.912 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.598 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 18.5 p -119.9 136.09 54.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.18 -33.3 7.87 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.831 -171.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HA ' ' HG ' ' A' ' 2' ' ' LEU . 12.8 pt-20 -106.92 146.55 30.89 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.385 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -45.26 -46.8 12.76 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.34 0.656 . . . . 0.0 112.685 -171.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.3 m -88.39 1.46 6.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -173.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.598 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 11.6 t70 -62.18 -24.36 67.15 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.26 0.552 . . . . 0.0 111.256 -174.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 t -100.77 138.85 37.27 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 171.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.0 m -53.02 -21.92 5.12 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -84.82 -13.0 52.41 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.834 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.67 8.78 87.45 Favored Glycine 0 C--O 1.221 -0.696 0 N-CA-C 114.694 0.638 . . . . 0.0 114.694 171.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.2 t -122.82 109.6 24.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 118.465 1.133 . . . . 0.0 111.703 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.5 m -107.73 118.44 36.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.397 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -144.31 134.08 23.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m 56.24 68.41 0.86 Allowed 'General case' 0 C--N 1.343 0.298 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.443 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 84.6 mt -40.95 88.31 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 122.838 1.304 . . . . 0.0 113.74 -140.47 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.434 ' HA ' ' HA ' ' A' ' 14' ' ' PRO . 57.8 m-85 -151.66 153.84 35.21 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 111.665 -2.516 . . . . 0.0 105.023 166.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.0 t -59.56 113.48 2.24 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.381 176.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -70.47 -38.18 74.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.099 -171.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 . . . . . 0 C--O 1.244 0.78 0 CA-C-O 118.606 -0.712 . . . . 0.0 111.145 -178.904 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 17' ' ' GLU . 52.9 mt . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.523 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 64.3 mt 67.66 90.22 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.344 0.592 . . . . 0.0 111.415 -177.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -142.01 -44.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.095 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -149.05 138.58 21.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.146 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.8 mt -88.4 82.14 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.657 0.741 . . . . 0.0 111.226 -171.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.4 160.1 15.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.426 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.85 113.3 17.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.572 0.701 . . . . 0.0 111.552 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.481 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 91.0 mmm -109.52 144.33 37.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.209 174.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -73.75 164.24 26.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 -177.488 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -61.05 129.34 40.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.216 -176.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.55 -2.45 70.45 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.915 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 10.0 mp -93.82 154.72 40.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 122.642 -0.328 . . . . 0.0 110.452 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -66.83 121.62 8.85 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.909 2.406 . . . . 0.0 112.231 -177.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 13.1 p -118.57 148.53 42.56 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.7 mmt -123.52 -2.8 8.39 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.349 -0.54 . . . . 0.0 112.044 -175.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.523 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 10.2 pt-20 -149.59 153.15 36.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 175.233 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -46.51 -46.97 19.51 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -172.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.3 m -88.26 -0.19 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -174.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.443 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 31.9 t70 -64.38 -19.11 65.28 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.776 0.798 . . . . 0.0 110.492 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.7 m -98.69 136.43 38.76 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.642 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -55.09 -28.86 55.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.098 -176.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -100.19 5.45 44.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.976 0.417 . . . . 0.0 111.105 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.63 31.17 77.75 Favored Glycine 0 C--O 1.225 -0.421 0 N-CA-C 115.561 0.984 . . . . 0.0 115.561 170.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.5 t -127.46 109.62 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 118.624 1.212 . . . . 0.0 111.887 174.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 m -106.8 114.82 29.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.247 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -140.45 121.5 14.67 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.4 t 60.33 70.03 0.65 Allowed 'General case' 0 C--N 1.345 0.408 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -175.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.601 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 89.6 mt -40.11 87.75 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 122.996 1.379 . . . . 0.0 113.796 -142.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -151.64 150.33 30.15 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 111.693 -2.503 . . . . 0.0 105.071 165.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 9' ' ' MET . 64.1 m -61.12 105.3 0.47 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.222 0.534 . . . . 0.0 111.283 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.517 HD12 ' CE2' ' A' ' 33' ' ' TYR . 2.3 tm? -67.28 -45.9 75.22 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.673 -176.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.517 ' CE2' HD12 ' A' ' 32' ' ' LEU . 85.6 m-85 . . . . . 0 C--O 1.243 0.717 0 CA-C-O 118.853 -0.594 . . . . 0.0 109.684 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 17' ' ' GLU . 1.8 mm? . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.2 mt 54.77 82.86 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 123.672 0.608 . . . . 0.0 112.185 175.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -132.61 -70.99 0.54 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.881 175.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 44.1 p -176.71 118.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 -176.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' A' ' 5' ' ' SER . 17.1 tt -179.36 158.72 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 120.632 0.254 . . . . 0.0 110.571 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.43 145.79 31.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.425 ' HB2' ' CA ' ' A' ' 22' ' ' CYS . 28.1 p -82.18 140.88 33.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.358 0.599 . . . . 0.0 111.619 -173.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 95.6 mmm -89.59 155.65 19.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.828 176.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.652 ' H ' HD12 ' A' ' 13' ' ' LEU . 71.7 mt-30 -76.15 175.26 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.459 -178.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -62.51 130.96 47.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.616 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.91 9.67 84.09 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.94 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.652 HD12 ' H ' ' A' ' 10' ' ' GLN . 16.2 mt -105.49 155.91 37.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.869 0.334 . . . . 0.0 110.566 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 9' ' ' MET . 14.3 Cg_exo -67.75 130.68 22.45 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.173 2.582 . . . . 0.0 112.131 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 14.6 p -138.67 128.44 25.0 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.468 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -107.43 -31.19 8.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.894 0.378 . . . . 0.0 110.89 -174.23 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.462 ' HA ' HD12 ' A' ' 2' ' ' LEU . 38.1 tt0 -98.32 143.04 29.22 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.46 ' H ' ' HB3' ' A' ' 2' ' ' LEU . 67.0 t60 -49.9 -44.59 50.15 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.108 0.413 . . . . 0.0 112.113 -172.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 m -84.21 -0.9 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.794 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.484 ' OD2' ' HA ' ' A' ' 15' ' ' CYS . 35.4 t0 -72.81 -13.5 61.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.741 0.782 . . . . 0.0 109.158 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.56 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 49.6 t -98.57 130.47 45.12 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.753 174.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.425 ' CA ' ' HB2' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -75.8 -9.32 58.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.0 0.428 . . . . 0.0 110.448 178.112 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -97.63 1.91 49.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.013 0.435 . . . . 0.0 110.397 174.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.84 -2.5 68.49 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 114.964 0.746 . . . . 0.0 114.964 170.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.0 t -126.39 110.7 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 118.279 1.039 . . . . 0.0 111.811 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.4 m -105.89 107.67 18.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.199 176.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -143.7 138.67 29.05 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 p 49.6 68.95 0.65 Allowed 'General case' 0 C--N 1.348 0.505 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -171.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.474 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 83.9 mt -43.22 88.16 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 123.013 1.387 . . . . 0.0 114.072 -140.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -151.92 164.61 36.76 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 111.786 -2.461 . . . . 0.0 105.544 167.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.0 m -59.85 106.38 0.48 Allowed 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.517 168.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.5 tp -60.83 -45.01 96.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.572 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 C--O 1.251 1.156 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.927 177.969 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.6 mt 66.92 71.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.67 0.748 . . . . 0.0 109.89 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 80.6 mm-40 -113.91 -80.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.807 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -179.49 31.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.451 HD12 ' HG2' ' A' ' 17' ' ' GLU . 93.8 mt -93.46 144.52 9.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.821 -176.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.79 159.29 30.24 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.365 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.701 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 5.5 t -76.06 139.64 41.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.378 0.609 . . . . 0.0 112.552 -175.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.0 mmm -100.94 163.59 12.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.114 175.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.574 ' H ' HD12 ' A' ' 13' ' ' LEU . 88.1 mm-40 -75.54 172.03 13.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.999 0.428 . . . . 0.0 110.93 178.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -62.84 127.74 32.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.069 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.02 9.41 84.33 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.88 -0.6 . . . . 0.0 113.502 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.574 HD12 ' H ' ' A' ' 10' ' ' GLN . 11.2 mt -96.37 158.05 34.49 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 117.344 0.572 . . . . 0.0 110.635 -178.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.36 127.52 21.2 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.087 2.525 . . . . 0.0 112.485 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.703 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 31.1 p -120.23 148.7 43.34 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 177.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -118.14 -33.03 4.54 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.429 178.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.647 ' OE1' HG22 ' A' ' 19' ' ' VAL . 3.3 pt-20 -116.36 179.46 3.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.192 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -69.06 -47.73 64.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.527 0.195 . . . . 0.0 111.527 -173.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.647 HG22 ' OE1' ' A' ' 17' ' ' GLU . 4.9 m -84.53 2.44 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 111.273 -175.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.701 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 7.3 t0 -60.27 -32.16 70.9 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.211 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 83.9 m -100.83 137.03 39.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.013 173.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.402 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 79.4 m -51.94 -35.9 47.45 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 177.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -85.91 3.09 43.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 111.228 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.48 -2.49 72.0 Favored Glycine 0 C--O 1.223 -0.587 0 N-CA-C 115.546 0.979 . . . . 0.0 115.546 168.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.7 t -110.23 110.04 30.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 118.932 1.366 . . . . 0.0 112.5 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.1 t -105.89 118.32 36.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.083 175.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -148.07 134.11 19.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 118.952 -0.547 . . . . 0.0 109.884 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.6 m 55.01 68.13 0.91 Allowed 'General case' 0 C--N 1.347 0.473 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.703 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 61.7 mt -41.34 86.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 123.065 1.412 . . . . 0.0 113.944 -137.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -152.71 150.94 29.97 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 111.567 -2.561 . . . . 0.0 105.641 166.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.5 m -53.5 112.44 0.9 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 118.318 0.508 . . . . 0.0 110.822 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.43 -44.04 72.11 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.235 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.511 -0.757 . . . . 0.0 109.593 174.579 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.656 0.265 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.1 mt 72.29 56.06 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 121.569 0.699 . . . . 0.0 110.239 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -119.3 -91.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.775 173.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.484 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 14.8 t -175.73 138.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.351 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' A' ' 5' ' ' SER . 15.4 tt 174.59 169.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.3 153.93 42.76 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.47 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 19.4 p -111.56 147.73 34.78 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.812 0.815 . . . . 0.0 112.436 -172.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.1 mmm -97.42 163.13 13.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.033 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.614 ' H ' HD12 ' A' ' 13' ' ' LEU . 74.3 mt-30 -78.8 175.62 10.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.684 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.53 ' HG3' ' OXT' ' A' ' 33' ' ' TYR . 25.0 ttmm -57.44 129.64 42.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.508 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.5 7.81 87.02 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.684 -0.689 . . . . 0.0 113.892 176.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.614 HD12 ' H ' ' A' ' 10' ' ' GLN . 14.6 mt -93.75 154.75 40.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 117.636 0.718 . . . . 0.0 110.533 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -64.85 130.68 26.73 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.208 2.605 . . . . 0.0 112.345 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.6 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 13.9 p -135.97 142.69 44.58 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.439 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.425 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -124.33 10.92 8.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.769 0.795 . . . . 0.0 109.425 175.311 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.45 ' CD ' HG22 ' A' ' 19' ' ' VAL . 2.0 tp10 -146.06 133.7 21.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.629 -1.168 . . . . 0.0 108.561 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -53.66 -48.04 69.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 118.006 0.366 . . . . 0.0 111.76 -175.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.45 HG22 ' CD ' ' A' ' 17' ' ' GLU . 22.0 m -80.24 -0.87 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.129 0.49 . . . . 0.0 111.115 -177.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.469 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 7.5 t70 -69.9 -19.62 63.41 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 173.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 94.2 m -101.12 137.35 39.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.92 171.078 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.47 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 58.0 m -64.96 -15.41 62.15 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -97.78 -6.05 33.56 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.572 174.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.95 5.84 88.81 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.841 0.696 . . . . 0.0 114.841 173.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.4 t -115.64 110.83 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 118.205 1.003 . . . . 0.0 112.178 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.1 m -106.46 123.12 47.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.221 173.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -149.56 130.87 14.64 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m 58.38 68.36 0.84 Allowed 'General case' 0 C--N 1.342 0.276 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -176.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.6 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 84.5 mt -40.31 87.95 0.0 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-O 123.139 1.447 . . . . 0.0 113.805 -141.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -151.91 158.48 43.24 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 111.482 -2.599 . . . . 0.0 105.68 166.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.1 m -59.84 105.09 0.35 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.083 0.468 . . . . 0.0 110.328 173.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.459 HD12 ' CE2' ' A' ' 33' ' ' TYR . 3.1 tm? -63.27 -45.99 88.9 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.916 -175.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.53 ' OXT' ' HG3' ' A' ' 11' ' ' LYS . 81.4 m-85 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.865 176.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.504 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 7.0 mp . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.0 mt 64.83 65.72 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -171.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -137.26 -75.89 0.41 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.291 -174.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.501 ' H ' ' HG3' ' A' ' 17' ' ' GLU . 10.4 m -82.49 154.23 25.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.749 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.0 mm -111.88 -11.93 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.359 0.6 . . . . 0.0 110.49 -177.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.472 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -75.26 142.71 43.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 176.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.52 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 14.4 p -119.8 141.19 49.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.913 0.863 . . . . 0.0 112.669 -171.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mmm -94.94 158.62 15.39 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.164 -1.38 . . . . 0.0 108.924 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.614 ' H ' HD12 ' A' ' 13' ' ' LEU . 1.5 mp0 -73.54 175.22 7.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.315 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -62.09 134.79 57.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.308 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.46 9.69 84.49 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.915 -0.66 . . . . 0.0 113.014 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.614 HD12 ' H ' ' A' ' 10' ' ' GLN . 16.1 mt -104.62 158.06 32.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 122.556 -0.379 . . . . 0.0 110.505 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -64.66 124.54 13.38 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.73 2.286 . . . . 0.0 111.611 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.479 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 15.4 p -136.67 130.57 32.35 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.2 mmt -104.78 -17.53 14.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.037 0.446 . . . . 0.0 111.066 -171.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.568 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 1.3 pm0 -131.65 152.01 51.18 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.718 173.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -46.95 -46.41 21.46 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -171.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.0 t -78.15 -9.21 12.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.203 0.525 . . . . 0.0 111.441 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.568 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 21.9 t70 -73.81 -10.36 59.59 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.55 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -101.65 137.98 39.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 164.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.52 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 57.8 m -64.64 -12.25 43.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.515 177.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -99.37 -6.72 27.32 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.74 0.305 . . . . 0.0 110.958 176.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.24 -2.68 88.06 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 115.479 0.951 . . . . 0.0 115.479 169.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.5 t -117.9 108.73 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 118.688 1.244 . . . . 0.0 111.829 -175.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 87.7 m -109.6 125.93 53.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.496 175.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -153.53 143.46 22.03 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 175.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.0 p 48.81 68.12 0.75 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -173.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -42.99 88.38 0.0 OUTLIER 'General case' 0 C--O 1.231 0.093 0 CA-C-O 123.366 1.555 . . . . 0.0 114.401 -139.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -150.76 161.51 42.5 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 110.999 -2.819 . . . . 0.0 103.402 162.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.99 119.86 9.68 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 118.676 -1.21 . . . . 0.0 109.812 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.52 -36.88 81.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.963 -172.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.423 -0.798 . . . . 0.0 110.458 177.82 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 54.6 mt . . . . . 0 C--O 1.235 0.338 0 N-CA-C 110.714 -0.106 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.5 mt 64.88 67.65 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.578 0.704 . . . . 0.0 110.103 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -143.79 -41.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.258 -175.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 p -144.37 -172.39 3.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.103 -174.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.6 mt -134.45 68.35 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.552 0.691 . . . . 0.0 111.329 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.516 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -95.34 161.29 14.15 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 172.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 36.4 t -135.04 129.19 33.68 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.855 0.836 . . . . 0.0 112.883 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.4 mmm -111.18 162.56 14.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.103 -1.408 . . . . 0.0 109.247 174.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.679 ' H ' HD12 ' A' ' 13' ' ' LEU . 15.5 mm100 -91.88 175.37 6.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.527 -178.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 33' ' ' TYR . 24.3 ttmm -55.99 125.63 22.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.291 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.26 9.12 80.37 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.887 -0.597 . . . . 0.0 113.837 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.679 HD12 ' H ' ' A' ' 10' ' ' GLN . 10.1 mt -97.63 155.39 37.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 117.535 0.667 . . . . 0.0 110.87 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 13.8 Cg_exo -68.6 124.8 11.96 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.173 2.582 . . . . 0.0 111.876 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.596 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 15.2 p -129.94 135.95 48.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -122.64 7.15 9.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.44 0.638 . . . . 0.0 110.484 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -129.56 136.1 49.4 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.473 176.697 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -51.03 -46.79 61.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.143 0.429 . . . . 0.0 111.582 -172.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 m -88.31 2.04 6.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.183 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.634 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 36.2 t70 -62.06 -19.93 63.44 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 121.358 0.599 . . . . 0.0 110.123 -175.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.7 m -99.86 128.71 45.93 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 167.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.1 m -50.69 -27.66 7.48 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -75.63 -16.43 60.21 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.702 0.286 . . . . 0.0 111.101 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.0 12.62 76.46 Favored Glycine 0 C--O 1.227 -0.313 0 N-CA-C 115.06 0.784 . . . . 0.0 115.06 170.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 t -127.08 109.28 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 118.411 1.105 . . . . 0.0 112.058 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.9 m -107.36 123.63 48.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.417 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -149.43 134.79 18.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m 56.84 67.99 0.92 Allowed 'General case' 0 C--N 1.343 0.284 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.596 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 75.0 mt -41.48 87.49 0.0 OUTLIER 'General case' 0 C--O 1.234 0.257 0 CA-C-O 122.97 1.367 . . . . 0.0 113.7 -140.325 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -152.17 158.77 43.37 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 111.497 -2.592 . . . . 0.0 105.023 167.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.8 m -57.36 106.07 0.3 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 118.44 0.564 . . . . 0.0 110.046 173.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.86 -42.61 94.06 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.025 -175.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.44 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 65.4 m-85 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.694 174.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 17' ' ' GLU . 2.0 mm? . . . . . 0 N--CA 1.467 0.39 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.536 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 26.2 mm 58.97 87.2 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 O-C-N 123.336 0.398 . . . . 0.0 111.48 176.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.56 -61.11 0.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.891 0.377 . . . . 0.0 110.944 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 p -68.53 173.0 5.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.991 -174.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.451 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -133.18 15.13 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.695 0.76 . . . . 0.0 109.644 175.802 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.28 160.44 14.82 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.382 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.577 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 8.8 t -128.62 123.08 32.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.627 0.727 . . . . 0.0 112.575 -177.115 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.526 ' SD ' HD23 ' A' ' 13' ' ' LEU . 18.9 mmt -95.17 154.01 17.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.991 171.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.512 ' H ' HD22 ' A' ' 13' ' ' LEU . 85.7 mm-40 -98.23 176.21 5.8 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.158 175.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -54.02 128.26 29.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.033 0.444 . . . . 0.0 111.792 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.68 -2.25 82.28 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.369 176.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.526 HD23 ' SD ' ' A' ' 9' ' ' MET . 11.1 mp -93.75 152.92 41.07 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.917 0.359 . . . . 0.0 110.485 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 12.7 Cg_exo -68.73 120.75 7.65 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.871 2.381 . . . . 0.0 112.021 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 12.4 p -130.36 141.11 50.58 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.7 mmt -104.2 -35.86 7.87 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.209 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.536 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 1.2 pm0 -128.47 153.34 47.25 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.873 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -45.26 -44.37 11.23 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -173.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.9 m -76.85 -2.03 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -173.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.577 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 6.2 t70 -79.4 -17.59 54.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.731 0.777 . . . . 0.0 109.076 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.3 m -101.26 134.25 44.6 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.08 174.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 64.5 m -57.14 -30.45 64.44 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.732 0.301 . . . . 0.0 111.023 171.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -87.93 3.47 48.45 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.573 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.34 -2.09 22.98 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 115.731 1.053 . . . . 0.0 115.731 170.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.6 t -116.89 109.75 28.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 118.701 1.25 . . . . 0.0 112.383 -175.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 38.3 m -108.1 125.44 51.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.35 171.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -154.36 133.72 12.64 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t 57.62 68.2 0.87 Allowed 'General case' 0 C--N 1.343 0.316 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -175.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.1 mt -42.76 87.56 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 123.152 1.453 . . . . 0.0 113.889 -142.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -152.14 153.82 34.63 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 111.591 -2.549 . . . . 0.0 104.463 164.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.27 110.67 1.0 Allowed 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.601 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.35 -46.79 72.34 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.572 -167.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.257 179.639 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 2' ' ' LEU . 5.5 mp . . . . . 0 C--O 1.236 0.344 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.8 mt 68.98 66.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.799 0.809 . . . . 0.0 109.907 -175.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -133.58 -69.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.289 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 p -90.32 167.54 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.225 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.443 ' O ' HG22 ' A' ' 6' ' ' ILE . 22.1 mm -123.55 38.56 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.86 0.838 . . . . 0.0 110.886 -176.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.625 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -94.64 156.85 16.23 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 171.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.427 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 13.3 p -148.32 145.1 27.99 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.596 -0.842 . . . . 0.0 112.233 178.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 87.5 mmm -100.29 157.79 16.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.689 -1.141 . . . . 0.0 109.944 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.617 ' H ' HD12 ' A' ' 13' ' ' LEU . 16.2 mm100 -79.52 177.28 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.847 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -53.44 130.85 36.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.374 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.82 4.95 90.17 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.971 -0.633 . . . . 0.0 113.17 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.617 HD12 ' H ' ' A' ' 10' ' ' GLN . 12.0 mt -100.33 153.55 37.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 117.178 0.489 . . . . 0.0 110.847 -176.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.43 ' O ' ' HG3' ' A' ' 9' ' ' MET . 14.5 Cg_exo -68.36 129.11 18.49 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.314 2.676 . . . . 0.0 112.346 -178.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 14.5 p -141.22 131.78 25.45 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.512 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -114.35 -31.4 6.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.317 0.579 . . . . 0.0 110.047 -177.042 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' HB3' ' HB2' ' A' ' 20' ' ' ASP . 1.4 tp10 -83.57 136.35 34.28 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 86.4 t60 -50.03 -47.83 53.04 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -171.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -87.48 -0.42 7.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.133 -176.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.625 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 23.5 t70 -70.03 -5.02 23.68 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 121.328 0.585 . . . . 0.0 109.913 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.419 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 53.3 t -99.41 130.11 45.65 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 167.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.427 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 69.3 m -65.8 -10.7 40.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.7 0.286 . . . . 0.0 111.03 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -104.56 5.97 34.26 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.757 0.313 . . . . 0.0 110.829 176.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.91 -2.46 74.57 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 115.469 0.947 . . . . 0.0 115.469 167.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.9 t -124.04 110.49 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 118.533 1.167 . . . . 0.0 111.877 -176.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.0 m -106.43 109.05 20.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.422 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -142.64 147.16 35.32 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 p 48.66 66.76 0.99 Allowed 'General case' 0 C--N 1.346 0.441 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -173.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.512 HD13 ' HG3' ' A' ' 16' ' ' MET . 80.5 mt -42.92 87.89 0.0 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-O 123.257 1.503 . . . . 0.0 113.631 -138.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -152.3 169.61 22.08 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 111.259 -2.701 . . . . 0.0 105.098 168.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.67 108.63 0.51 Allowed 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.446 166.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.98 -45.17 94.8 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.849 -178.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.121 174.511 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.434 ' HA ' ' HB2' ' A' ' 17' ' ' GLU . 9.9 mp . . . . . 0 CA--C 1.529 0.157 0 N-CA-C 110.701 -0.111 . . . . 0.0 110.701 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.441 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 45.0 mt 58.84 79.55 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 121.371 0.605 . . . . 0.0 110.995 -178.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -135.68 -50.4 0.72 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.613 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 t -125.88 -172.92 2.71 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.2 mt -131.75 65.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.558 0.694 . . . . 0.0 110.832 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.13 160.66 14.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.283 172.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 18.2 t -132.49 119.31 20.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.597 0.713 . . . . 0.0 112.638 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.8 mmm -101.7 158.07 16.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.51 170.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.545 ' H ' HD22 ' A' ' 13' ' ' LEU . 84.6 mm-40 -89.38 175.86 7.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.59 0.233 . . . . 0.0 111.054 -178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -56.06 130.02 42.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.419 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.74 0.91 90.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.98 -0.628 . . . . 0.0 113.339 176.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.545 HD22 ' H ' ' A' ' 10' ' ' GLN . 10.4 mp -94.86 152.52 39.74 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.906 0.353 . . . . 0.0 110.311 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 23.6 Cg_exo -63.17 121.0 8.69 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.81 2.34 . . . . 0.0 112.155 -177.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 17.0 p -128.46 135.58 49.66 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.5 mmt -107.04 -18.5 13.89 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.536 -0.465 . . . . 0.0 112.088 -170.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.489 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 13.6 pt-20 -130.19 151.88 50.23 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.285 177.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -45.5 -46.42 13.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.74 0.65 . . . . 0.0 112.712 -172.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.4 m -88.05 -1.06 8.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -173.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.54 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 21.2 t70 -63.82 -20.64 65.95 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.194 0.521 . . . . 0.0 111.207 -174.423 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -100.67 138.06 38.23 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 170.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.6 m -52.6 -24.39 8.25 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 174.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -87.26 -8.57 56.64 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.728 0.299 . . . . 0.0 111.023 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.31 15.6 78.87 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 115.564 0.986 . . . . 0.0 115.564 169.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.2 t -127.54 109.71 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 118.706 1.253 . . . . 0.0 111.882 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 56.7 m -107.68 117.27 33.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.342 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -144.21 126.25 15.46 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 t 60.73 69.53 0.68 Allowed 'General case' 0 C--N 1.346 0.418 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 -175.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 97.4 mt -41.07 87.52 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 123.164 1.459 . . . . 0.0 113.792 -141.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -151.62 151.17 31.14 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 111.595 -2.548 . . . . 0.0 104.497 165.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.9 t -59.11 113.53 2.16 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.395 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -70.26 -46.73 63.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.239 -170.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.876 -178.588 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--O 1.233 0.235 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.5 mt 73.49 51.64 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 121.988 0.899 . . . . 0.0 109.867 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -131.4 -147.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.278 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.509 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 11.9 m -79.38 -133.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.731 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.509 ' HB ' ' O ' ' A' ' 5' ' ' SER . 79.1 mt 80.75 138.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-O 121.412 0.625 . . . . 0.0 112.075 173.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.96 159.67 27.58 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.394 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 3.3 t -84.85 139.35 31.96 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.436 0.636 . . . . 0.0 112.364 -174.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.1 mmm -99.92 166.28 11.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.12 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.644 ' H ' HD12 ' A' ' 13' ' ' LEU . 76.8 mm-40 -82.94 171.93 13.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.256 0.551 . . . . 0.0 111.31 -177.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -62.13 131.34 49.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.445 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.1 8.54 85.43 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 113.359 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.644 HD12 ' H ' ' A' ' 10' ' ' GLN . 13.5 mt -97.34 155.53 37.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 117.264 0.532 . . . . 0.0 110.595 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 9.6 Cg_exo -69.35 121.89 8.67 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.065 2.51 . . . . 0.0 111.897 -178.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 15.4 p -115.49 144.76 43.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.9 mmt -127.8 12.37 6.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.527 0.68 . . . . 0.0 110.095 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HB3' ' HB2' ' A' ' 20' ' ' ASP . 2.9 tp10 -146.65 137.41 23.99 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.001 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -51.77 -46.08 64.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.958 0.408 . . . . 0.0 111.355 -176.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.3 m -87.21 1.48 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.184 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.634 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 27.3 t70 -61.39 -30.0 70.27 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.53 0.681 . . . . 0.0 109.736 -179.045 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 60.8 m -98.95 135.59 40.15 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.187 173.467 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 99.0 m -51.76 -34.33 38.99 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -80.82 -6.04 58.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.83 0.348 . . . . 0.0 111.404 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.64 27.41 73.21 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 114.659 0.623 . . . . 0.0 114.659 171.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.3 t -127.11 109.59 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 117.891 0.846 . . . . 0.0 111.332 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.1 m -106.77 120.95 43.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.12 0.486 . . . . 0.0 111.4 174.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -148.93 139.31 22.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 p 48.89 68.29 0.73 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -175.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.583 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 90.1 mt -40.8 88.47 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 123.238 1.494 . . . . 0.0 113.878 -141.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -151.0 157.6 43.09 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 111.498 -2.592 . . . . 0.0 105.243 168.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.1 m -57.73 104.33 0.18 Allowed 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 173.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.89 -41.48 97.93 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.315 -173.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.909 175.626 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.418 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 51.1 mt 59.8 73.9 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 121.3 0.572 . . . . 0.0 110.816 -176.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -143.41 97.7 3.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.385 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 11.8 t 61.16 -150.57 0.4 Allowed 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.417 ' HB ' ' O ' ' A' ' 5' ' ' SER . 46.1 mm 75.47 130.17 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.295 0.569 . . . . 0.0 112.315 171.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.2 158.89 28.84 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 14.5 p -95.31 145.53 25.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.38 0.609 . . . . 0.0 111.685 -174.105 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 20' ' ' ASP . 16.9 ptp -108.62 171.26 7.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.761 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.436 ' H ' HD12 ' A' ' 13' ' ' LEU . 15.1 mm-40 -83.55 175.66 9.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.628 -173.322 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -60.69 135.02 57.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.807 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.0 9.19 84.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.069 -0.586 . . . . 0.0 113.85 174.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 9' ' ' MET . 45.8 mt -98.75 155.77 36.33 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 117.222 0.511 . . . . 0.0 110.141 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 3.5 Cg_exo -72.43 119.71 6.3 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.036 2.491 . . . . 0.0 112.388 -176.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.688 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 29.1 p -112.22 160.64 17.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.375 -174.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.7 mmt -120.03 -25.81 5.7 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 176.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 1.3 pm0 -140.85 173.73 11.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.627 0.251 . . . . 0.0 111.23 175.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -55.27 -47.28 75.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.142 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.402 HG11 HG23 ' A' ' 3' ' ' ILE . 32.2 m -79.54 -7.75 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -172.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 9' ' ' MET . 41.7 t0 -66.53 -26.09 66.98 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 176.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 81.0 m -100.34 136.26 40.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.425 175.003 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.42 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 82.6 m -65.59 -15.58 62.87 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.448 ' HB2' ' OXT' ' A' ' 33' ' ' TYR . 25.9 m170 -105.51 8.02 33.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.875 0.369 . . . . 0.0 111.157 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.19 -2.54 70.09 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 115.97 1.148 . . . . 0.0 115.97 167.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 t -114.66 110.03 30.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 119.101 1.451 . . . . 0.0 112.537 -175.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.6 t -106.62 116.93 32.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.594 174.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -149.37 134.07 17.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 118.921 -0.561 . . . . 0.0 109.814 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.5 t 56.16 67.78 0.95 Allowed 'General case' 0 C--N 1.345 0.411 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.688 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 85.1 mt -41.21 85.93 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 123.006 1.384 . . . . 0.0 113.481 -137.224 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -152.78 148.08 26.8 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 111.699 -2.501 . . . . 0.0 105.608 167.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.4 m -60.59 104.33 0.33 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.064 0.459 . . . . 0.0 110.535 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.453 HD23 ' CE2' ' A' ' 33' ' ' TYR . 25.3 tp -60.49 -45.24 94.49 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.045 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.453 ' CE2' HD23 ' A' ' 32' ' ' LEU . 75.6 m-85 . . . . . 0 C--O 1.243 0.711 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.789 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.503 ' HG ' ' HA ' ' A' ' 17' ' ' GLU . 5.7 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 3' ' ' ILE . 33.2 mt 70.5 48.97 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 121.895 0.855 . . . . 0.0 110.751 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -129.35 -101.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.586 172.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -157.36 91.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.73 0.3 . . . . 0.0 111.009 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.422 HD12 ' HB2' ' A' ' 17' ' ' GLU . 42.9 mt -138.36 139.18 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 120.651 0.262 . . . . 0.0 110.534 -178.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.53 159.17 34.36 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.04 0.536 . . . . 0.0 111.799 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 8.7 t -82.4 138.37 34.46 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.641 0.734 . . . . 0.0 112.319 -175.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.5 mmm -107.46 171.11 7.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.009 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.599 ' H ' HD12 ' A' ' 13' ' ' LEU . 85.8 mm-40 -89.21 170.01 10.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.059 0.457 . . . . 0.0 111.177 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -59.78 134.04 56.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.965 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.91 -3.1 85.99 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.018 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.599 HD12 ' H ' ' A' ' 10' ' ' GLN . 25.4 mt -95.21 154.2 39.55 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 23.4 Cg_exo -63.34 122.29 10.41 Favored 'Trans proline' 0 C--O 1.229 0.046 0 C-N-CA 122.762 2.308 . . . . 0.0 112.033 -178.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 22.0 p -109.77 152.27 25.9 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.559 ' SD ' HD13 ' A' ' 29' ' ' LEU . 22.6 mmt -131.41 1.79 4.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.883 0.373 . . . . 0.0 111.171 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' HG ' ' A' ' 2' ' ' LEU . 1.0 OUTLIER -151.61 160.18 43.76 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.607 -174.333 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.406 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 44.7 m-70 -62.86 -48.22 79.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.796 0.331 . . . . 0.0 110.273 178.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.476 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 32.6 m -82.53 -0.99 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.043 -178.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.557 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 11.7 t70 -63.51 -30.46 71.58 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 169.248 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.6 m -99.45 125.81 45.24 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.67 169.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.41 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 81.6 m -55.65 -21.85 19.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.446 175.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -98.37 9.1 43.87 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.6 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.63 -3.05 65.09 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 115.781 1.072 . . . . 0.0 115.781 168.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.3 t -113.6 110.05 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 118.69 1.245 . . . . 0.0 112.705 -175.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.3 t -106.31 113.86 27.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.329 173.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -137.68 141.79 41.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.587 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 p 44.71 67.86 0.64 Allowed 'General case' 0 C--N 1.352 0.695 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.559 HD13 ' SD ' ' A' ' 16' ' ' MET . 88.4 mt -40.51 86.72 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 123.057 1.408 . . . . 0.0 113.533 -137.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -152.18 143.1 23.04 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 111.739 -2.482 . . . . 0.0 105.545 166.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.1 t -57.51 111.85 1.24 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.073 0.463 . . . . 0.0 110.032 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.474 HD12 ' CE2' ' A' ' 33' ' ' TYR . 2.6 tm? -73.09 -47.24 46.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.435 -167.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.474 ' CE2' HD12 ' A' ' 32' ' ' LEU . 67.6 m-85 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.401 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 mp -116.9 151.99 35.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.421 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 55.6 mt 76.84 154.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 123.587 0.554 . . . . 0.0 111.131 176.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 5' ' ' SER . 42.3 tt0 78.21 139.96 0.07 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.967 0.907 . . . . 0.0 110.418 -177.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 50.8 m 73.98 167.31 0.3 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.168 0.587 . . . . 0.0 110.578 -175.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.9 mt -143.2 85.94 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-O 121.131 0.491 . . . . 0.0 111.303 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 20' ' ' ASP . . . -94.03 160.77 14.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.001 173.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -130.3 112.99 13.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.887 0.851 . . . . 0.0 112.191 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mmm -116.45 143.87 45.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.319 -1.31 . . . . 0.0 108.948 171.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.521 ' H ' HD12 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -71.35 163.63 27.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.349 -175.644 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -61.75 127.65 32.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.744 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.95 1.02 63.42 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.901 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.521 HD12 ' H ' ' A' ' 10' ' ' GLN . 16.4 mt -94.84 154.45 39.82 Favored Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 122.625 -0.338 . . . . 0.0 110.48 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -66.94 123.43 10.98 Favored 'Trans proline' 0 CA--C 1.521 -0.162 0 C-N-CA 122.884 2.389 . . . . 0.0 112.267 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.602 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 13.7 p -131.38 138.57 49.19 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.9 mmt -118.23 -19.89 8.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.541 0.686 . . . . 0.0 109.762 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HG2' HG22 ' A' ' 19' ' ' VAL . 41.6 tt0 -107.47 131.09 54.68 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.275 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -55.65 -34.48 65.0 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.231 -171.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.461 HG22 ' HG2' ' A' ' 17' ' ' GLU . 28.9 m -88.58 -0.36 7.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.54 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.441 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 19.4 t70 -66.3 -18.67 65.49 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.779 0.8 . . . . 0.0 110.238 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.51 137.26 35.86 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.043 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -25.45 62.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.976 -175.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -93.5 -6.81 45.98 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 111.295 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.87 27.84 68.09 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 114.28 0.472 . . . . 0.0 114.28 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.6 t -126.56 109.0 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 118.031 0.915 . . . . 0.0 111.833 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.1 m -106.36 127.15 53.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.398 170.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -147.87 128.52 14.19 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 m 57.66 69.42 0.74 Allowed 'General case' 0 C--N 1.343 0.316 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.602 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 93.5 mt -41.09 88.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 123.158 1.456 . . . . 0.0 114.188 -139.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -152.09 149.12 28.46 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 111.588 -2.551 . . . . 0.0 105.603 164.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.4 m -57.86 110.32 0.89 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.155 0.502 . . . . 0.0 110.945 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.527 HD12 ' CE2' ' A' ' 33' ' ' TYR . 2.1 tm? -72.65 -44.05 62.4 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.979 -174.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.527 ' CE2' HD12 ' A' ' 32' ' ' LEU . 75.7 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.049 -0.976 . . . . 0.0 109.428 175.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.423 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 8.9 mp -112.56 152.27 29.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.4 mt 68.6 67.33 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 109.982 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -146.24 -55.53 0.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.188 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 p -118.1 125.23 49.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.801 -175.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.4 ' O ' HG22 ' A' ' 6' ' ' ILE . 23.6 mt -98.43 44.73 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-O 121.742 0.782 . . . . 0.0 111.58 -168.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.741 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -94.32 143.08 26.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 167.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.485 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 14.1 p -133.82 148.01 51.28 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.199 -1.001 . . . . 0.0 113.349 -171.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 81.3 mmm -100.79 142.94 31.55 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.1 -1.409 . . . . 0.0 108.166 172.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -76.91 175.67 9.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.78 0.324 . . . . 0.0 111.794 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -47.52 129.72 13.53 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.869 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.25 9.01 70.71 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 113.992 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.435 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 73.6 mt -114.46 152.38 46.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 117.682 0.741 . . . . 0.0 111.309 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 15.4 Cg_exo -66.7 132.03 27.59 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.289 2.66 . . . . 0.0 112.472 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 21.8 p -138.5 128.6 25.6 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.452 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -112.26 1.96 16.37 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.527 0.68 . . . . 0.0 110.685 -173.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' OE2' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -126.35 138.45 53.57 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.042 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 85.3 t60 -49.51 -47.67 48.64 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -171.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG22 ' OE2' ' A' ' 17' ' ' GLU . 35.6 m -87.93 0.43 7.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.842 -178.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.741 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 28.3 t70 -72.29 -4.47 29.84 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.416 0.626 . . . . 0.0 109.769 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 50.3 t -99.08 134.84 41.35 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 170.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.485 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 72.0 m -67.85 -10.26 51.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.693 0.282 . . . . 0.0 111.091 178.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -101.28 -0.97 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.753 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.17 -2.4 65.93 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 114.61 0.604 . . . . 0.0 114.61 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.8 t -120.19 108.92 24.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 117.854 0.827 . . . . 0.0 111.564 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 86.2 m -107.41 109.14 20.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.167 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -136.79 130.95 32.68 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m 58.11 68.34 0.85 Allowed 'General case' 0 C--N 1.343 0.313 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 -175.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 86.3 mt -41.28 88.48 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 123.015 1.388 . . . . 0.0 113.733 -140.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -152.2 165.14 35.77 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 111.489 -2.596 . . . . 0.0 105.076 166.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.9 m -57.69 112.43 1.45 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.05 169.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.01 -36.56 84.81 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.878 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.364 -0.827 . . . . 0.0 109.856 175.468 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 17' ' ' GLU . 9.3 mp -110.35 138.39 46.8 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 55.1 mt 62.92 80.45 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 121.19 0.519 . . . . 0.0 110.423 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -135.69 -71.87 0.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.513 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -170.93 53.82 0.03 OUTLIER 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 111.816 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.1 mt -124.28 134.93 65.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.691 0.281 . . . . 0.0 110.409 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.21 158.44 19.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 74.0 m -57.74 140.35 51.69 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -173.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.613 ' HG3' ' SG ' ' A' ' 31' ' ' CYS . 8.1 ptp -120.19 165.49 14.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.09 169.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -90.88 171.86 9.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.12 0.486 . . . . 0.0 111.739 -173.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -58.53 129.42 41.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.442 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.91 -3.61 58.78 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.488 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.448 ' HB3' ' SD ' ' A' ' 9' ' ' MET . 11.1 mp -94.07 154.39 40.64 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 117.378 0.589 . . . . 0.0 110.51 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.458 ' O ' ' HE1' ' A' ' 9' ' ' MET . 3.6 Cg_exo -76.42 119.38 5.22 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.06 2.507 . . . . 0.0 112.085 -178.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 29.8 p -106.97 154.72 20.67 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -175.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.2 mmt -120.75 -33.16 3.85 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.405 -0.518 . . . . 0.0 112.048 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.476 ' OE2' HG22 ' A' ' 19' ' ' VAL . 9.2 pt-20 -120.9 170.75 9.19 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.197 177.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -58.45 -47.62 83.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.476 HG22 ' OE2' ' A' ' 17' ' ' GLU . 18.9 m -87.21 3.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -174.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.47 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 38.0 t0 -59.23 -34.71 72.53 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.735 0.779 . . . . 0.0 109.308 -177.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 62.4 m -99.06 136.11 39.5 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -11.58 56.15 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -174.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -83.12 -16.22 47.68 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.508 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.3 15.77 63.76 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.063 -0.589 . . . . 0.0 114.514 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.0 t -126.59 110.35 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 118.519 1.159 . . . . 0.0 111.795 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 t -106.26 121.86 45.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.868 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -154.34 141.85 19.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 118.948 -0.549 . . . . 0.0 109.778 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.5 m 53.2 66.79 1.13 Allowed 'General case' 0 C--N 1.347 0.496 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.672 HD22 ' H ' ' A' ' 29' ' ' LEU . 3.1 mm? -41.37 86.74 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 122.748 1.261 . . . . 0.0 113.287 -137.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -153.17 154.87 35.6 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 112.169 -2.287 . . . . 0.0 106.054 167.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.613 ' SG ' ' HG3' ' A' ' 9' ' ' MET . 67.1 m -55.68 105.27 0.17 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.074 0.464 . . . . 0.0 110.641 174.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.457 HD12 ' CE2' ' A' ' 33' ' ' TYR . 2.5 tm? -64.72 -40.3 95.1 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.599 -176.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.457 ' CE2' HD12 ' A' ' 32' ' ' LEU . 71.9 m-85 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.025 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 N-CA-C 112.135 -0.386 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 17' ' ' GLU . 5.6 mp -88.18 156.98 18.95 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.515 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 51.3 mt 61.18 74.25 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 121.439 0.637 . . . . 0.0 110.798 -176.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -150.89 -40.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.892 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 t -126.97 119.22 26.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.169 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.8 mt -94.08 77.36 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.392 0.615 . . . . 0.0 111.577 -171.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.416 ' HB3' ' OD1' ' A' ' 20' ' ' ASP . . . -94.64 159.77 14.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 168.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 t -121.56 115.18 22.32 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.898 177.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.9 mmm -94.53 151.21 19.52 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.911 172.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.599 ' H ' HD12 ' A' ' 13' ' ' LEU . 85.9 mm-40 -73.9 170.36 15.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.602 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -64.42 130.41 43.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.14 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.98 3.84 85.04 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.007 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.599 HD12 ' H ' ' A' ' 10' ' ' GLN . 11.5 mt -97.66 155.4 37.25 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 117.145 0.472 . . . . 0.0 110.673 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 15.9 Cg_exo -67.57 121.54 8.64 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.903 2.402 . . . . 0.0 111.854 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 22.2 p -123.58 135.52 54.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.3 mmt -99.33 -15.04 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.672 -170.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 13.0 pt-20 -147.02 155.24 42.08 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -49.42 -46.03 47.13 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -172.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.0 m -81.65 -0.75 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -175.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.481 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 23.5 t70 -79.3 -19.01 51.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.943 0.877 . . . . 0.0 109.126 175.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.9 t -100.07 132.22 45.56 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.178 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -10.92 19.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 174.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -101.26 -3.09 29.58 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.169 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.16 -2.65 50.72 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 114.77 0.668 . . . . 0.0 114.77 173.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.49 108.65 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 117.997 0.899 . . . . 0.0 111.161 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.7 m -108.71 108.99 20.05 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.582 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -139.88 140.51 36.49 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 176.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.6 p 49.71 68.79 0.68 Allowed 'General case' 0 C--N 1.346 0.42 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -173.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 94.0 mt -41.3 89.11 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 123.009 1.385 . . . . 0.0 113.711 -141.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -151.25 161.38 42.82 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 111.631 -2.531 . . . . 0.0 104.843 166.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.8 m -57.18 105.97 0.28 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.531 170.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.63 -42.85 93.64 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.73 -173.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.378 177.522 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -110.8 165.49 11.8 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.411 ' N ' ' HB2' ' A' ' 17' ' ' GLU . 12.5 tt 37.79 86.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.18 0.992 . . . . 0.0 113.465 178.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -130.39 -20.61 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.905 177.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.505 ' O ' HG21 ' A' ' 19' ' ' VAL . 13.1 t -137.23 -167.06 2.03 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.0 mt -132.73 33.95 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 122.048 0.927 . . . . 0.0 109.697 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -94.62 150.09 20.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.079 174.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.8 p -140.54 148.83 41.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 119.798 -0.761 . . . . 0.0 112.063 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.426 ' HB3' ' HB2' ' A' ' 13' ' ' LEU . 86.4 mmm -103.34 150.81 23.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.232 177.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.578 ' H ' HD12 ' A' ' 13' ' ' LEU . 2.0 mp0 -69.3 170.7 9.77 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.111 -178.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -57.29 125.94 25.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.145 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.38 6.17 81.38 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.135 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.578 HD12 ' H ' ' A' ' 10' ' ' GLN . 18.7 mt -98.83 151.44 37.41 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.868 0.334 . . . . 0.0 110.249 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.416 ' O ' ' HG3' ' A' ' 9' ' ' MET . 20.4 Cg_exo -64.54 121.5 9.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.993 2.462 . . . . 0.0 111.981 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.511 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 15.9 p -128.67 135.91 49.91 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.7 mmt -110.11 -16.19 13.85 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -170.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.603 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 14.0 pt-20 -127.21 153.33 46.23 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -50.16 -39.8 44.67 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -170.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 5' ' ' SER . 22.8 m -86.34 -4.63 9.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -175.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.603 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 25.6 t70 -77.72 -0.34 26.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.606 0.717 . . . . 0.0 109.965 -177.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.9 t -100.65 125.38 47.05 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 168.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.8 m -63.16 -10.6 15.76 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.681 0.277 . . . . 0.0 111.544 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -109.49 13.33 24.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.004 0.43 . . . . 0.0 110.902 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.6 -2.38 78.85 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 115.322 0.889 . . . . 0.0 115.322 167.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.3 t -125.41 112.66 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 118.406 1.103 . . . . 0.0 112.077 -176.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.0 m -105.58 114.87 29.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.895 173.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -144.15 134.89 25.01 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 m 57.33 67.94 0.91 Allowed 'General case' 0 C--N 1.34 0.19 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.49 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 96.3 mt -40.9 88.48 0.0 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-O 123.035 1.398 . . . . 0.0 113.736 -140.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -151.25 154.78 37.46 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 111.707 -2.497 . . . . 0.0 105.75 168.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.4 t -61.26 104.08 0.36 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 174.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.61 -47.65 71.98 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.99 -164.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.526 -176.849 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.072 -0.411 . . . . 0.0 112.072 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.522 ' HG ' ' HA ' ' A' ' 17' ' ' GLU . 10.6 mp 70.77 151.21 0.1 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.277 0.631 . . . . 0.0 110.981 -178.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.9 mt 66.22 76.13 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.089 0.471 . . . . 0.0 111.113 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -139.63 -62.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.107 0.48 . . . . 0.0 110.377 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 19' ' ' VAL . 32.8 m -114.2 117.77 32.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.31 -177.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.7 mt -84.3 83.3 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.723 0.773 . . . . 0.0 110.645 -173.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.75 162.58 13.87 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.26 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.7 t -122.2 136.37 54.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.463 0.649 . . . . 0.0 111.599 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.435 ' SD ' ' HB3' ' A' ' 15' ' ' CYS . 10.4 ptp -143.7 164.43 30.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.864 -1.062 . . . . 0.0 108.698 177.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -99.93 172.69 7.07 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.932 0.396 . . . . 0.0 110.988 -177.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -58.93 131.97 52.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.247 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.78 -4.31 63.36 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.108 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mp -91.21 150.3 41.31 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 30' ' ' PHE . 4.3 Cg_exo -78.91 118.81 4.17 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.729 2.286 . . . . 0.0 111.714 -177.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 14.8 p -110.52 140.1 45.12 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.0 mmt -109.84 -14.47 14.29 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.332 -0.547 . . . . 0.0 112.053 -172.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 15.3 pt-20 -140.19 150.74 44.55 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.26 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -45.64 -44.87 13.58 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.48 0.487 . . . . 0.0 112.224 -174.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 5' ' ' SER . 29.6 m -87.61 1.02 6.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -175.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.545 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 23.2 t0 -65.94 -21.31 66.42 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.723 0.773 . . . . 0.0 109.766 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.8 m -99.8 135.06 41.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.842 171.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -27.18 69.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.298 0.57 . . . . 0.0 110.692 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -83.95 -3.17 57.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.647 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.76 20.7 77.67 Favored Glycine 0 C--O 1.225 -0.45 0 N-CA-C 115.732 1.053 . . . . 0.0 115.732 168.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -127.51 109.62 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 118.968 1.384 . . . . 0.0 112.139 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.3 m -108.29 123.32 48.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.542 173.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -148.69 129.31 14.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.2 m 58.03 68.13 0.87 Allowed 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 64.8 mt -41.03 87.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 123.143 1.449 . . . . 0.0 113.714 -142.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 14' ' ' PRO . 44.4 m-85 -151.77 150.63 30.38 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 111.327 -2.669 . . . . 0.0 104.715 164.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.7 t -58.33 109.04 0.7 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.031 0.444 . . . . 0.0 110.042 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.16 -39.51 89.83 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.858 -171.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.767 175.726 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.838 0 N-CA-C 111.896 -0.482 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.9 mt -124.7 137.54 54.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.78 0.29 . . . . 0.0 110.252 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.9 mt 72.72 65.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.629 0.728 . . . . 0.0 110.496 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -139.57 -72.52 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.418 173.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.406 ' O ' HG23 ' A' ' 19' ' ' VAL . 17.1 p -90.73 122.01 33.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.416 -175.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.4 mt -103.19 56.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.531 0.682 . . . . 0.0 111.191 -171.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.43 136.4 35.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.3 m -95.77 136.37 36.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.217 0.532 . . . . 0.0 111.842 -176.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.572 ' SD ' ' HB2' ' A' ' 31' ' ' CYS . 5.9 ptp -114.41 163.75 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.162 174.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -83.94 165.75 18.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.882 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.36 136.66 58.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.206 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.11 -21.39 37.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 113.212 175.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.54 ' HB2' ' SD ' ' A' ' 9' ' ' MET . 88.0 mt -78.55 152.45 78.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.757 0.279 . . . . 0.0 110.355 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.425 ' O ' ' HE1' ' A' ' 9' ' ' MET . 8.7 Cg_exo -70.0 119.78 6.65 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.546 2.164 . . . . 0.0 111.753 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 20.8 p -112.71 135.57 53.3 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.438 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -127.06 14.37 7.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 122.241 1.02 . . . . 0.0 108.487 175.855 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 20' ' ' ASP . 5.1 tp10 -134.28 137.71 44.47 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 113.55 -1.659 . . . . 0.0 107.938 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -67.69 -42.06 82.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.102 -172.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 5' ' ' SER . 28.7 m -87.66 2.36 5.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.497 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.487 ' HB2' ' HB3' ' A' ' 17' ' ' GLU . 15.4 t0 -61.9 -26.3 68.08 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.84 0.828 . . . . 0.0 109.747 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.9 m -99.08 135.26 40.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.026 172.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -20.92 65.29 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.92 0.391 . . . . 0.0 111.141 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -84.93 -7.15 59.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.01 24.18 74.45 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 114.646 0.619 . . . . 0.0 114.646 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.8 t -126.21 108.78 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 118.239 1.019 . . . . 0.0 111.973 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.7 t -107.7 113.27 26.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 170.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -147.2 135.16 21.35 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.267 -175.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.9 t 55.42 67.78 0.96 Allowed 'General case' 0 C--N 1.346 0.425 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.558 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 81.0 mt -43.35 86.31 0.0 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-O 122.998 1.38 . . . . 0.0 113.675 -140.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -152.93 147.77 26.35 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 111.652 -2.522 . . . . 0.0 105.122 165.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.572 ' HB2' ' SD ' ' A' ' 9' ' ' MET . 7.3 t -59.15 111.58 1.39 Allowed 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.422 HD23 ' CE2' ' A' ' 33' ' ' TYR . 19.9 tp -73.14 -44.42 60.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.667 -174.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.422 ' CE2' HD23 ' A' ' 32' ' ' LEU . 80.3 m-85 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.644 -0.693 . . . . 0.0 110.2 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 112.215 -0.354 . . . . 0.0 112.215 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.465 ' HG ' ' HA ' ' A' ' 17' ' ' GLU . 9.2 mp 69.75 154.51 0.12 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.021 0.528 . . . . 0.0 110.977 -179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.436 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 36.2 mm 58.99 81.4 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-O 120.96 0.41 . . . . 0.0 111.308 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -136.27 -44.07 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.1 0.476 . . . . 0.0 110.792 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -135.93 -175.61 4.03 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.619 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.5 mt -125.98 65.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.615 0.722 . . . . 0.0 110.126 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.37 160.77 14.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.376 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 43.1 t -137.64 153.13 49.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.302 0.572 . . . . 0.0 111.806 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.544 ' SD ' ' HB3' ' A' ' 15' ' ' CYS . 7.6 ptp -144.16 168.92 18.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.118 -177.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -90.2 170.27 10.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.048 175.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -66.65 130.84 44.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.993 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.78 -0.31 48.8 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.978 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 11.1 mp -95.82 152.51 39.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 30' ' ' PHE . 5.6 Cg_exo -77.34 118.73 4.72 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.918 2.412 . . . . 0.0 111.912 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.598 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 18.5 p -119.9 136.09 54.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.18 -33.3 7.87 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.831 -171.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HA ' ' HG ' ' A' ' 2' ' ' LEU . 12.8 pt-20 -106.92 146.55 30.89 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.385 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -45.26 -46.8 12.76 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.34 0.656 . . . . 0.0 112.685 -171.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.3 m -88.39 1.46 6.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -173.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.598 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 11.6 t70 -62.18 -24.36 67.15 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.26 0.552 . . . . 0.0 111.256 -174.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 t -100.77 138.85 37.27 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 171.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.0 m -53.02 -21.92 5.12 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -84.82 -13.0 52.41 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.834 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.67 8.78 87.45 Favored Glycine 0 C--O 1.221 -0.696 0 N-CA-C 114.694 0.638 . . . . 0.0 114.694 171.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.2 t -122.82 109.6 24.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 118.465 1.133 . . . . 0.0 111.703 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.5 m -107.73 118.44 36.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.397 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -144.31 134.08 23.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m 56.24 68.41 0.86 Allowed 'General case' 0 C--N 1.343 0.298 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.443 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 84.6 mt -40.95 88.31 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 122.838 1.304 . . . . 0.0 113.74 -140.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.434 ' HA ' ' HA ' ' A' ' 14' ' ' PRO . 57.8 m-85 -151.66 153.84 35.21 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 111.665 -2.516 . . . . 0.0 105.023 166.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.0 t -59.56 113.48 2.24 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.381 176.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -70.47 -38.18 74.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.099 -171.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 . . . . . 0 C--O 1.244 0.78 0 CA-C-O 118.606 -0.712 . . . . 0.0 111.145 -178.904 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 112.084 -0.406 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 17' ' ' GLU . 52.9 mt 70.4 129.37 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.487 0.715 . . . . 0.0 110.389 -177.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.523 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 64.3 mt 67.66 90.22 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.344 0.592 . . . . 0.0 111.415 -177.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -142.01 -44.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.095 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -149.05 138.58 21.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.146 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.8 mt -88.4 82.14 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.657 0.741 . . . . 0.0 111.226 -171.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.4 160.1 15.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.426 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.85 113.3 17.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.572 0.701 . . . . 0.0 111.552 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.481 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 91.0 mmm -109.52 144.33 37.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.209 174.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -73.75 164.24 26.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 -177.488 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -61.05 129.34 40.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.216 -176.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.55 -2.45 70.45 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.915 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 10.0 mp -93.82 154.72 40.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 122.642 -0.328 . . . . 0.0 110.452 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -66.83 121.62 8.85 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.909 2.406 . . . . 0.0 112.231 -177.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 13.1 p -118.57 148.53 42.56 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.7 mmt -123.52 -2.8 8.39 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.349 -0.54 . . . . 0.0 112.044 -175.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.523 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 10.2 pt-20 -149.59 153.15 36.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 175.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -46.51 -46.97 19.51 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -172.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.3 m -88.26 -0.19 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -174.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 31.9 t70 -64.38 -19.11 65.28 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.776 0.798 . . . . 0.0 110.492 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.7 m -98.69 136.43 38.76 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.642 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -55.09 -28.86 55.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.098 -176.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -100.19 5.45 44.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.976 0.417 . . . . 0.0 111.105 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.63 31.17 77.75 Favored Glycine 0 C--O 1.225 -0.421 0 N-CA-C 115.561 0.984 . . . . 0.0 115.561 170.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.5 t -127.46 109.62 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 118.624 1.212 . . . . 0.0 111.887 174.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 m -106.8 114.82 29.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.247 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -140.45 121.5 14.67 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.4 t 60.33 70.03 0.65 Allowed 'General case' 0 C--N 1.345 0.408 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -175.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.601 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 89.6 mt -40.11 87.75 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 122.996 1.379 . . . . 0.0 113.796 -142.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -151.64 150.33 30.15 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 111.693 -2.503 . . . . 0.0 105.071 165.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 9' ' ' MET . 64.1 m -61.12 105.3 0.47 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.222 0.534 . . . . 0.0 111.283 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.517 HD12 ' CE2' ' A' ' 33' ' ' TYR . 2.3 tm? -67.28 -45.9 75.22 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.673 -176.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.517 ' CE2' HD12 ' A' ' 32' ' ' LEU . 85.6 m-85 . . . . . 0 C--O 1.243 0.717 0 CA-C-O 118.853 -0.594 . . . . 0.0 109.684 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 17' ' ' GLU . 1.8 mm? -111.11 175.59 5.36 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.2 mt 54.77 82.86 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 123.672 0.608 . . . . 0.0 112.185 175.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -132.61 -70.99 0.54 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.881 175.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 44.1 p -176.71 118.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 -176.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' A' ' 5' ' ' SER . 17.1 tt -179.36 158.72 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 120.632 0.254 . . . . 0.0 110.571 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.43 145.79 31.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.425 ' HB2' ' CA ' ' A' ' 22' ' ' CYS . 28.1 p -82.18 140.88 33.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.358 0.599 . . . . 0.0 111.619 -173.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 95.6 mmm -89.59 155.65 19.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.828 176.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.652 ' H ' HD12 ' A' ' 13' ' ' LEU . 71.7 mt-30 -76.15 175.26 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.459 -178.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -62.51 130.96 47.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.616 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.91 9.67 84.09 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.94 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.652 HD12 ' H ' ' A' ' 10' ' ' GLN . 16.2 mt -105.49 155.91 37.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.869 0.334 . . . . 0.0 110.566 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 9' ' ' MET . 14.3 Cg_exo -67.75 130.68 22.45 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.173 2.582 . . . . 0.0 112.131 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 14.6 p -138.67 128.44 25.0 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.468 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -107.43 -31.19 8.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.894 0.378 . . . . 0.0 110.89 -174.23 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.462 ' HA ' HD12 ' A' ' 2' ' ' LEU . 38.1 tt0 -98.32 143.04 29.22 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.46 ' H ' ' HB3' ' A' ' 2' ' ' LEU . 67.0 t60 -49.9 -44.59 50.15 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.108 0.413 . . . . 0.0 112.113 -172.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 m -84.21 -0.9 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.794 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.484 ' OD2' ' HA ' ' A' ' 15' ' ' CYS . 35.4 t0 -72.81 -13.5 61.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.741 0.782 . . . . 0.0 109.158 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.56 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 49.6 t -98.57 130.47 45.12 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.753 174.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.425 ' CA ' ' HB2' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -75.8 -9.32 58.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.0 0.428 . . . . 0.0 110.448 178.112 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -97.63 1.91 49.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.013 0.435 . . . . 0.0 110.397 174.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.84 -2.5 68.49 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 114.964 0.746 . . . . 0.0 114.964 170.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.0 t -126.39 110.7 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 118.279 1.039 . . . . 0.0 111.811 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.4 m -105.89 107.67 18.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.199 176.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -143.7 138.67 29.05 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 p 49.6 68.95 0.65 Allowed 'General case' 0 C--N 1.348 0.505 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -171.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.474 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 83.9 mt -43.22 88.16 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 123.013 1.387 . . . . 0.0 114.072 -140.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -151.92 164.61 36.76 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 111.786 -2.461 . . . . 0.0 105.544 167.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.0 m -59.85 106.38 0.48 Allowed 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.517 168.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.5 tp -60.83 -45.01 96.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.572 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 C--O 1.251 1.156 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.927 177.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.882 -0.487 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.0 mp -102.13 148.13 25.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.6 mt 66.92 71.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.67 0.748 . . . . 0.0 109.89 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 80.6 mm-40 -113.91 -80.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.807 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -179.49 31.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.451 HD12 ' HG2' ' A' ' 17' ' ' GLU . 93.8 mt -93.46 144.52 9.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.821 -176.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.79 159.29 30.24 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.365 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.701 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 5.5 t -76.06 139.64 41.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.378 0.609 . . . . 0.0 112.552 -175.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.0 mmm -100.94 163.59 12.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.114 175.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.574 ' H ' HD12 ' A' ' 13' ' ' LEU . 88.1 mm-40 -75.54 172.03 13.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.999 0.428 . . . . 0.0 110.93 178.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -62.84 127.74 32.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.069 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.02 9.41 84.33 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.88 -0.6 . . . . 0.0 113.502 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.574 HD12 ' H ' ' A' ' 10' ' ' GLN . 11.2 mt -96.37 158.05 34.49 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 117.344 0.572 . . . . 0.0 110.635 -178.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.36 127.52 21.2 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.087 2.525 . . . . 0.0 112.485 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.703 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 31.1 p -120.23 148.7 43.34 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 177.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -118.14 -33.03 4.54 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.429 178.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.647 ' OE1' HG22 ' A' ' 19' ' ' VAL . 3.3 pt-20 -116.36 179.46 3.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.192 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -69.06 -47.73 64.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.527 0.195 . . . . 0.0 111.527 -173.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.647 HG22 ' OE1' ' A' ' 17' ' ' GLU . 4.9 m -84.53 2.44 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 111.273 -175.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.701 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 7.3 t0 -60.27 -32.16 70.9 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.211 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 83.9 m -100.83 137.03 39.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.013 173.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.402 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 79.4 m -51.94 -35.9 47.45 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 177.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -85.91 3.09 43.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 111.228 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.48 -2.49 72.0 Favored Glycine 0 C--O 1.223 -0.587 0 N-CA-C 115.546 0.979 . . . . 0.0 115.546 168.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.7 t -110.23 110.04 30.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 118.932 1.366 . . . . 0.0 112.5 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.1 t -105.89 118.32 36.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.083 175.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -148.07 134.11 19.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 118.952 -0.547 . . . . 0.0 109.884 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.6 m 55.01 68.13 0.91 Allowed 'General case' 0 C--N 1.347 0.473 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.703 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 61.7 mt -41.34 86.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 123.065 1.412 . . . . 0.0 113.944 -137.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -152.71 150.94 29.97 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 111.567 -2.561 . . . . 0.0 105.641 166.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.5 m -53.5 112.44 0.9 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 118.318 0.508 . . . . 0.0 110.822 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.43 -44.04 72.11 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.235 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.511 -0.757 . . . . 0.0 109.593 174.579 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.4 mp -123.96 126.03 45.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.798 0.299 . . . . 0.0 110.339 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.1 mt 72.29 56.06 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 121.569 0.699 . . . . 0.0 110.239 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -119.3 -91.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.775 173.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.484 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 14.8 t -175.73 138.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.351 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' A' ' 5' ' ' SER . 15.4 tt 174.59 169.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.3 153.93 42.76 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.47 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 19.4 p -111.56 147.73 34.78 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.812 0.815 . . . . 0.0 112.436 -172.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.1 mmm -97.42 163.13 13.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.033 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.614 ' H ' HD12 ' A' ' 13' ' ' LEU . 74.3 mt-30 -78.8 175.62 10.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.684 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.53 ' HG3' ' OXT' ' A' ' 33' ' ' TYR . 25.0 ttmm -57.44 129.64 42.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.508 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.5 7.81 87.02 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.684 -0.689 . . . . 0.0 113.892 176.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.614 HD12 ' H ' ' A' ' 10' ' ' GLN . 14.6 mt -93.75 154.75 40.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 117.636 0.718 . . . . 0.0 110.533 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -64.85 130.68 26.73 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.208 2.605 . . . . 0.0 112.345 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.6 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 13.9 p -135.97 142.69 44.58 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.439 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.425 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -124.33 10.92 8.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.769 0.795 . . . . 0.0 109.425 175.311 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' CD ' HG22 ' A' ' 19' ' ' VAL . 2.0 tp10 -146.06 133.7 21.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.629 -1.168 . . . . 0.0 108.561 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -53.66 -48.04 69.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 118.006 0.366 . . . . 0.0 111.76 -175.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.45 HG22 ' CD ' ' A' ' 17' ' ' GLU . 22.0 m -80.24 -0.87 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.129 0.49 . . . . 0.0 111.115 -177.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.469 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 7.5 t70 -69.9 -19.62 63.41 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 173.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 94.2 m -101.12 137.35 39.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.92 171.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.47 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 58.0 m -64.96 -15.41 62.15 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -97.78 -6.05 33.56 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.572 174.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.95 5.84 88.81 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.841 0.696 . . . . 0.0 114.841 173.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.4 t -115.64 110.83 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 118.205 1.003 . . . . 0.0 112.178 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.1 m -106.46 123.12 47.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.221 173.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -149.56 130.87 14.64 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m 58.38 68.36 0.84 Allowed 'General case' 0 C--N 1.342 0.276 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -176.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.6 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 84.5 mt -40.31 87.95 0.0 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-O 123.139 1.447 . . . . 0.0 113.805 -141.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -151.91 158.48 43.24 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 111.482 -2.599 . . . . 0.0 105.68 166.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.1 m -59.84 105.09 0.35 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.083 0.468 . . . . 0.0 110.328 173.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.459 HD12 ' CE2' ' A' ' 33' ' ' TYR . 3.1 tm? -63.27 -45.99 88.9 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.916 -175.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.53 ' OXT' ' HG3' ' A' ' 11' ' ' LYS . 81.4 m-85 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.865 176.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 17' ' ' GLU . . . . . . . . 0 N--CA 1.484 1.851 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.504 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 7.0 mp -78.99 149.43 32.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.0 mt 64.83 65.72 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -171.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -137.26 -75.89 0.41 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.291 -174.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.501 ' H ' ' HG3' ' A' ' 17' ' ' GLU . 10.4 m -82.49 154.23 25.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.749 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.0 mm -111.88 -11.93 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.359 0.6 . . . . 0.0 110.49 -177.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.472 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -75.26 142.71 43.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 176.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.52 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 14.4 p -119.8 141.19 49.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.913 0.863 . . . . 0.0 112.669 -171.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mmm -94.94 158.62 15.39 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.164 -1.38 . . . . 0.0 108.924 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.614 ' H ' HD12 ' A' ' 13' ' ' LEU . 1.5 mp0 -73.54 175.22 7.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.315 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -62.09 134.79 57.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.308 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.46 9.69 84.49 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.915 -0.66 . . . . 0.0 113.014 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.614 HD12 ' H ' ' A' ' 10' ' ' GLN . 16.1 mt -104.62 158.06 32.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 122.556 -0.379 . . . . 0.0 110.505 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -64.66 124.54 13.38 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.73 2.286 . . . . 0.0 111.611 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.479 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 15.4 p -136.67 130.57 32.35 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.2 mmt -104.78 -17.53 14.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.037 0.446 . . . . 0.0 111.066 -171.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.568 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 1.3 pm0 -131.65 152.01 51.18 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.718 173.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -46.95 -46.41 21.46 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -171.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.0 t -78.15 -9.21 12.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.203 0.525 . . . . 0.0 111.441 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.568 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 21.9 t70 -73.81 -10.36 59.59 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.55 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -101.65 137.98 39.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 164.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.52 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 57.8 m -64.64 -12.25 43.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.515 177.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -99.37 -6.72 27.32 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.74 0.305 . . . . 0.0 110.958 176.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.24 -2.68 88.06 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 115.479 0.951 . . . . 0.0 115.479 169.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.5 t -117.9 108.73 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 118.688 1.244 . . . . 0.0 111.829 -175.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 87.7 m -109.6 125.93 53.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.496 175.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -153.53 143.46 22.03 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 175.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.0 p 48.81 68.12 0.75 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -173.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -42.99 88.38 0.0 OUTLIER 'General case' 0 C--O 1.231 0.093 0 CA-C-O 123.366 1.555 . . . . 0.0 114.401 -139.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -150.76 161.51 42.5 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 110.999 -2.819 . . . . 0.0 103.402 162.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.99 119.86 9.68 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 118.676 -1.21 . . . . 0.0 109.812 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.52 -36.88 81.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.963 -172.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.423 -0.798 . . . . 0.0 110.458 177.82 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 112.257 -0.337 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 54.6 mt -65.1 124.18 21.45 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.192 0.197 . . . . 0.0 110.714 -177.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.5 mt 64.88 67.65 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.578 0.704 . . . . 0.0 110.103 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -143.79 -41.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.258 -175.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 p -144.37 -172.39 3.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.103 -174.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.6 mt -134.45 68.35 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.552 0.691 . . . . 0.0 111.329 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.516 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -95.34 161.29 14.15 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 172.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 36.4 t -135.04 129.19 33.68 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.855 0.836 . . . . 0.0 112.883 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.4 mmm -111.18 162.56 14.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.103 -1.408 . . . . 0.0 109.247 174.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.679 ' H ' HD12 ' A' ' 13' ' ' LEU . 15.5 mm100 -91.88 175.37 6.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.527 -178.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 33' ' ' TYR . 24.3 ttmm -55.99 125.63 22.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.291 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.26 9.12 80.37 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.887 -0.597 . . . . 0.0 113.837 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.679 HD12 ' H ' ' A' ' 10' ' ' GLN . 10.1 mt -97.63 155.39 37.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 117.535 0.667 . . . . 0.0 110.87 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 13.8 Cg_exo -68.6 124.8 11.96 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.173 2.582 . . . . 0.0 111.876 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.596 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 15.2 p -129.94 135.95 48.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -122.64 7.15 9.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.44 0.638 . . . . 0.0 110.484 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -129.56 136.1 49.4 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.473 176.697 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -51.03 -46.79 61.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.143 0.429 . . . . 0.0 111.582 -172.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 m -88.31 2.04 6.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.183 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.634 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 36.2 t70 -62.06 -19.93 63.44 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 121.358 0.599 . . . . 0.0 110.123 -175.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.7 m -99.86 128.71 45.93 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 167.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.1 m -50.69 -27.66 7.48 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -75.63 -16.43 60.21 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.702 0.286 . . . . 0.0 111.101 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.0 12.62 76.46 Favored Glycine 0 C--O 1.227 -0.313 0 N-CA-C 115.06 0.784 . . . . 0.0 115.06 170.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 t -127.08 109.28 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 118.411 1.105 . . . . 0.0 112.058 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.9 m -107.36 123.63 48.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.417 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -149.43 134.79 18.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m 56.84 67.99 0.92 Allowed 'General case' 0 C--N 1.343 0.284 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.596 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 75.0 mt -41.48 87.49 0.0 OUTLIER 'General case' 0 C--O 1.234 0.257 0 CA-C-O 122.97 1.367 . . . . 0.0 113.7 -140.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -152.17 158.77 43.37 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 111.497 -2.592 . . . . 0.0 105.023 167.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.8 m -57.36 106.07 0.3 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 118.44 0.564 . . . . 0.0 110.046 173.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.86 -42.61 94.06 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.025 -175.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.44 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 65.4 m-85 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.694 174.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 17' ' ' GLU . 2.0 mm? 57.83 -156.53 0.31 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.523 0.329 . . . . 0.0 110.332 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.536 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 26.2 mm 58.97 87.2 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 O-C-N 123.336 0.398 . . . . 0.0 111.48 176.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.56 -61.11 0.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.891 0.377 . . . . 0.0 110.944 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 p -68.53 173.0 5.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.991 -174.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.451 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -133.18 15.13 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.695 0.76 . . . . 0.0 109.644 175.802 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.28 160.44 14.82 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.382 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.577 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 8.8 t -128.62 123.08 32.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.627 0.727 . . . . 0.0 112.575 -177.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.526 ' SD ' HD23 ' A' ' 13' ' ' LEU . 18.9 mmt -95.17 154.01 17.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.991 171.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.512 ' H ' HD22 ' A' ' 13' ' ' LEU . 85.7 mm-40 -98.23 176.21 5.8 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.158 175.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -54.02 128.26 29.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.033 0.444 . . . . 0.0 111.792 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.68 -2.25 82.28 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.369 176.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.526 HD23 ' SD ' ' A' ' 9' ' ' MET . 11.1 mp -93.75 152.92 41.07 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.917 0.359 . . . . 0.0 110.485 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 12.7 Cg_exo -68.73 120.75 7.65 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.871 2.381 . . . . 0.0 112.021 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 12.4 p -130.36 141.11 50.58 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.7 mmt -104.2 -35.86 7.87 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.209 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 1.2 pm0 -128.47 153.34 47.25 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.873 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -45.26 -44.37 11.23 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -173.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.9 m -76.85 -2.03 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -173.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.577 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 6.2 t70 -79.4 -17.59 54.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.731 0.777 . . . . 0.0 109.076 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.3 m -101.26 134.25 44.6 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.08 174.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 64.5 m -57.14 -30.45 64.44 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.732 0.301 . . . . 0.0 111.023 171.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -87.93 3.47 48.45 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.573 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.34 -2.09 22.98 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 115.731 1.053 . . . . 0.0 115.731 170.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.6 t -116.89 109.75 28.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 118.701 1.25 . . . . 0.0 112.383 -175.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 38.3 m -108.1 125.44 51.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.35 171.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -154.36 133.72 12.64 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t 57.62 68.2 0.87 Allowed 'General case' 0 C--N 1.343 0.316 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -175.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.1 mt -42.76 87.56 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 123.152 1.453 . . . . 0.0 113.889 -142.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -152.14 153.82 34.63 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 111.591 -2.549 . . . . 0.0 104.463 164.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.27 110.67 1.0 Allowed 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.601 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.35 -46.79 72.34 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.572 -167.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.257 179.639 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 2' ' ' LEU . 5.5 mp -85.03 155.4 21.56 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.254 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.8 mt 68.98 66.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.799 0.809 . . . . 0.0 109.907 -175.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -133.58 -69.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.289 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 p -90.32 167.54 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.225 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' O ' HG22 ' A' ' 6' ' ' ILE . 22.1 mm -123.55 38.56 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.86 0.838 . . . . 0.0 110.886 -176.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.625 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -94.64 156.85 16.23 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 171.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.427 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 13.3 p -148.32 145.1 27.99 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.596 -0.842 . . . . 0.0 112.233 178.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 87.5 mmm -100.29 157.79 16.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.689 -1.141 . . . . 0.0 109.944 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.617 ' H ' HD12 ' A' ' 13' ' ' LEU . 16.2 mm100 -79.52 177.28 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.847 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -53.44 130.85 36.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.374 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.82 4.95 90.17 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.971 -0.633 . . . . 0.0 113.17 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.617 HD12 ' H ' ' A' ' 10' ' ' GLN . 12.0 mt -100.33 153.55 37.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 117.178 0.489 . . . . 0.0 110.847 -176.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.43 ' O ' ' HG3' ' A' ' 9' ' ' MET . 14.5 Cg_exo -68.36 129.11 18.49 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.314 2.676 . . . . 0.0 112.346 -178.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 14.5 p -141.22 131.78 25.45 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.512 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -114.35 -31.4 6.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.317 0.579 . . . . 0.0 110.047 -177.042 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' HB3' ' HB2' ' A' ' 20' ' ' ASP . 1.4 tp10 -83.57 136.35 34.28 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 86.4 t60 -50.03 -47.83 53.04 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -171.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -87.48 -0.42 7.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.133 -176.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.625 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 23.5 t70 -70.03 -5.02 23.68 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 121.328 0.585 . . . . 0.0 109.913 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.419 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 53.3 t -99.41 130.11 45.65 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 167.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.427 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 69.3 m -65.8 -10.7 40.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.7 0.286 . . . . 0.0 111.03 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -104.56 5.97 34.26 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.757 0.313 . . . . 0.0 110.829 176.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.91 -2.46 74.57 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 115.469 0.947 . . . . 0.0 115.469 167.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.9 t -124.04 110.49 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 118.533 1.167 . . . . 0.0 111.877 -176.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.0 m -106.43 109.05 20.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.422 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -142.64 147.16 35.32 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 p 48.66 66.76 0.99 Allowed 'General case' 0 C--N 1.346 0.441 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -173.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.512 HD13 ' HG3' ' A' ' 16' ' ' MET . 80.5 mt -42.92 87.89 0.0 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-O 123.257 1.503 . . . . 0.0 113.631 -138.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -152.3 169.61 22.08 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 111.259 -2.701 . . . . 0.0 105.098 168.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.67 108.63 0.51 Allowed 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.446 166.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.98 -45.17 94.8 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.849 -178.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.121 174.511 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.783 -0.527 . . . . 0.0 111.783 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.434 ' HA ' ' HB2' ' A' ' 17' ' ' GLU . 9.9 mp -81.64 143.68 31.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.765 0.282 . . . . 0.0 110.701 -177.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.441 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 45.0 mt 58.84 79.55 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 121.371 0.605 . . . . 0.0 110.995 -178.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -135.68 -50.4 0.72 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.613 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 t -125.88 -172.92 2.71 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.2 mt -131.75 65.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.558 0.694 . . . . 0.0 110.832 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.13 160.66 14.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.283 172.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 18.2 t -132.49 119.31 20.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.597 0.713 . . . . 0.0 112.638 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.8 mmm -101.7 158.07 16.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.51 170.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.545 ' H ' HD22 ' A' ' 13' ' ' LEU . 84.6 mm-40 -89.38 175.86 7.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.59 0.233 . . . . 0.0 111.054 -178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -56.06 130.02 42.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.419 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.74 0.91 90.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.98 -0.628 . . . . 0.0 113.339 176.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.545 HD22 ' H ' ' A' ' 10' ' ' GLN . 10.4 mp -94.86 152.52 39.74 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.906 0.353 . . . . 0.0 110.311 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 23.6 Cg_exo -63.17 121.0 8.69 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.81 2.34 . . . . 0.0 112.155 -177.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 17.0 p -128.46 135.58 49.66 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.5 mmt -107.04 -18.5 13.89 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.536 -0.465 . . . . 0.0 112.088 -170.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.489 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 13.6 pt-20 -130.19 151.88 50.23 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.285 177.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -45.5 -46.42 13.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.74 0.65 . . . . 0.0 112.712 -172.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.4 m -88.05 -1.06 8.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -173.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.54 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 21.2 t70 -63.82 -20.64 65.95 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.194 0.521 . . . . 0.0 111.207 -174.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -100.67 138.06 38.23 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 170.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.6 m -52.6 -24.39 8.25 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 174.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -87.26 -8.57 56.64 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.728 0.299 . . . . 0.0 111.023 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.31 15.6 78.87 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 115.564 0.986 . . . . 0.0 115.564 169.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.2 t -127.54 109.71 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 118.706 1.253 . . . . 0.0 111.882 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 56.7 m -107.68 117.27 33.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.342 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -144.21 126.25 15.46 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 t 60.73 69.53 0.68 Allowed 'General case' 0 C--N 1.346 0.418 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 -175.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 97.4 mt -41.07 87.52 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 123.164 1.459 . . . . 0.0 113.792 -141.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -151.62 151.17 31.14 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 111.595 -2.548 . . . . 0.0 104.497 165.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.9 t -59.11 113.53 2.16 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.395 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -70.26 -46.73 63.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.239 -170.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.876 -178.588 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.461 ' C ' HD12 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.483 1.767 0 N-CA-C 112.315 -0.314 . . . . 0.0 112.315 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.461 HD12 ' C ' ' A' ' 1' ' ' GLY . 7.7 mp -131.74 140.88 49.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 177.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.5 mt 73.49 51.64 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 121.988 0.899 . . . . 0.0 109.867 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -131.4 -147.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.278 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.509 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 11.9 m -79.38 -133.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.731 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.509 ' HB ' ' O ' ' A' ' 5' ' ' SER . 79.1 mt 80.75 138.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-O 121.412 0.625 . . . . 0.0 112.075 173.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.96 159.67 27.58 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.394 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 3.3 t -84.85 139.35 31.96 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.436 0.636 . . . . 0.0 112.364 -174.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.1 mmm -99.92 166.28 11.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.12 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.644 ' H ' HD12 ' A' ' 13' ' ' LEU . 76.8 mm-40 -82.94 171.93 13.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.256 0.551 . . . . 0.0 111.31 -177.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -62.13 131.34 49.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.445 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.1 8.54 85.43 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 113.359 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.644 HD12 ' H ' ' A' ' 10' ' ' GLN . 13.5 mt -97.34 155.53 37.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 117.264 0.532 . . . . 0.0 110.595 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 9.6 Cg_exo -69.35 121.89 8.67 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.065 2.51 . . . . 0.0 111.897 -178.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 15.4 p -115.49 144.76 43.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.9 mmt -127.8 12.37 6.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.527 0.68 . . . . 0.0 110.095 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HB3' ' HB2' ' A' ' 20' ' ' ASP . 2.9 tp10 -146.65 137.41 23.99 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.001 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -51.77 -46.08 64.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.958 0.408 . . . . 0.0 111.355 -176.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.3 m -87.21 1.48 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.184 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.634 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 27.3 t70 -61.39 -30.0 70.27 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.53 0.681 . . . . 0.0 109.736 -179.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 60.8 m -98.95 135.59 40.15 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.187 173.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 99.0 m -51.76 -34.33 38.99 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -80.82 -6.04 58.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.83 0.348 . . . . 0.0 111.404 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.64 27.41 73.21 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 114.659 0.623 . . . . 0.0 114.659 171.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.3 t -127.11 109.59 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 117.891 0.846 . . . . 0.0 111.332 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.1 m -106.77 120.95 43.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.12 0.486 . . . . 0.0 111.4 174.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -148.93 139.31 22.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 p 48.89 68.29 0.73 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -175.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.583 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 90.1 mt -40.8 88.47 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 123.238 1.494 . . . . 0.0 113.878 -141.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -151.0 157.6 43.09 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 111.498 -2.592 . . . . 0.0 105.243 168.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.1 m -57.73 104.33 0.18 Allowed 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 173.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.89 -41.48 97.93 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.315 -173.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.909 175.626 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.4 mt -124.09 -171.53 2.35 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.418 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 51.1 mt 59.8 73.9 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 121.3 0.572 . . . . 0.0 110.816 -176.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -143.41 97.7 3.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.385 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 11.8 t 61.16 -150.57 0.4 Allowed 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.417 ' HB ' ' O ' ' A' ' 5' ' ' SER . 46.1 mm 75.47 130.17 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.295 0.569 . . . . 0.0 112.315 171.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.2 158.89 28.84 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 14.5 p -95.31 145.53 25.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.38 0.609 . . . . 0.0 111.685 -174.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 20' ' ' ASP . 16.9 ptp -108.62 171.26 7.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.761 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.436 ' H ' HD12 ' A' ' 13' ' ' LEU . 15.1 mm-40 -83.55 175.66 9.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.628 -173.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -60.69 135.02 57.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.807 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.0 9.19 84.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.069 -0.586 . . . . 0.0 113.85 174.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 9' ' ' MET . 45.8 mt -98.75 155.77 36.33 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 117.222 0.511 . . . . 0.0 110.141 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 3.5 Cg_exo -72.43 119.71 6.3 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.036 2.491 . . . . 0.0 112.388 -176.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.688 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 29.1 p -112.22 160.64 17.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.375 -174.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.7 mmt -120.03 -25.81 5.7 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 176.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 1.3 pm0 -140.85 173.73 11.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.627 0.251 . . . . 0.0 111.23 175.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -55.27 -47.28 75.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.142 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.402 HG11 HG23 ' A' ' 3' ' ' ILE . 32.2 m -79.54 -7.75 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -172.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 9' ' ' MET . 41.7 t0 -66.53 -26.09 66.98 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 176.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 81.0 m -100.34 136.26 40.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.425 175.003 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.42 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 82.6 m -65.59 -15.58 62.87 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.448 ' HB2' ' OXT' ' A' ' 33' ' ' TYR . 25.9 m170 -105.51 8.02 33.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.875 0.369 . . . . 0.0 111.157 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.19 -2.54 70.09 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 115.97 1.148 . . . . 0.0 115.97 167.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 t -114.66 110.03 30.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 119.101 1.451 . . . . 0.0 112.537 -175.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.6 t -106.62 116.93 32.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.594 174.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -149.37 134.07 17.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 118.921 -0.561 . . . . 0.0 109.814 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.5 t 56.16 67.78 0.95 Allowed 'General case' 0 C--N 1.345 0.411 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.688 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 85.1 mt -41.21 85.93 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 123.006 1.384 . . . . 0.0 113.481 -137.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -152.78 148.08 26.8 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 111.699 -2.501 . . . . 0.0 105.608 167.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.4 m -60.59 104.33 0.33 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.064 0.459 . . . . 0.0 110.535 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.453 HD23 ' CE2' ' A' ' 33' ' ' TYR . 25.3 tp -60.49 -45.24 94.49 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.045 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.453 ' CE2' HD23 ' A' ' 32' ' ' LEU . 75.6 m-85 . . . . . 0 C--O 1.243 0.711 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.789 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.774 -0.53 . . . . 0.0 111.774 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.503 ' HG ' ' HA ' ' A' ' 17' ' ' GLU . 5.7 mp -95.76 153.73 17.59 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 3' ' ' ILE . 33.2 mt 70.5 48.97 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 121.895 0.855 . . . . 0.0 110.751 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -129.35 -101.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.586 172.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -157.36 91.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.73 0.3 . . . . 0.0 111.009 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.422 HD12 ' HB2' ' A' ' 17' ' ' GLU . 42.9 mt -138.36 139.18 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 120.651 0.262 . . . . 0.0 110.534 -178.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.53 159.17 34.36 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.04 0.536 . . . . 0.0 111.799 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 8.7 t -82.4 138.37 34.46 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.641 0.734 . . . . 0.0 112.319 -175.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.5 mmm -107.46 171.11 7.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.009 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.599 ' H ' HD12 ' A' ' 13' ' ' LEU . 85.8 mm-40 -89.21 170.01 10.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.059 0.457 . . . . 0.0 111.177 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -59.78 134.04 56.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.965 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.91 -3.1 85.99 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.018 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.599 HD12 ' H ' ' A' ' 10' ' ' GLN . 25.4 mt -95.21 154.2 39.55 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 23.4 Cg_exo -63.34 122.29 10.41 Favored 'Trans proline' 0 C--O 1.229 0.046 0 C-N-CA 122.762 2.308 . . . . 0.0 112.033 -178.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 22.0 p -109.77 152.27 25.9 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.559 ' SD ' HD13 ' A' ' 29' ' ' LEU . 22.6 mmt -131.41 1.79 4.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.883 0.373 . . . . 0.0 111.171 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' HG ' ' A' ' 2' ' ' LEU . 1.0 OUTLIER -151.61 160.18 43.76 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.607 -174.333 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.406 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 44.7 m-70 -62.86 -48.22 79.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.796 0.331 . . . . 0.0 110.273 178.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.476 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 32.6 m -82.53 -0.99 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.043 -178.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.557 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 11.7 t70 -63.51 -30.46 71.58 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 169.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.6 m -99.45 125.81 45.24 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.67 169.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.41 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 81.6 m -55.65 -21.85 19.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.446 175.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -98.37 9.1 43.87 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.6 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.63 -3.05 65.09 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 115.781 1.072 . . . . 0.0 115.781 168.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.3 t -113.6 110.05 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 118.69 1.245 . . . . 0.0 112.705 -175.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.3 t -106.31 113.86 27.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.329 173.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -137.68 141.79 41.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.587 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 p 44.71 67.86 0.64 Allowed 'General case' 0 C--N 1.352 0.695 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.559 HD13 ' SD ' ' A' ' 16' ' ' MET . 88.4 mt -40.51 86.72 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 123.057 1.408 . . . . 0.0 113.533 -137.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -152.18 143.1 23.04 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 111.739 -2.482 . . . . 0.0 105.545 166.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.1 t -57.51 111.85 1.24 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.073 0.463 . . . . 0.0 110.032 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.474 HD12 ' CE2' ' A' ' 33' ' ' TYR . 2.6 tm? -73.09 -47.24 46.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.435 -167.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.474 ' CE2' HD12 ' A' ' 32' ' ' LEU . 67.6 m-85 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.401 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 mp . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.421 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 55.6 mt 76.84 154.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 123.587 0.554 . . . . 0.0 111.131 176.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 5' ' ' SER . 42.3 tt0 78.21 139.96 0.07 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.967 0.907 . . . . 0.0 110.418 -177.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 50.8 m 73.98 167.31 0.3 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.168 0.587 . . . . 0.0 110.578 -175.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.9 mt -143.2 85.94 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-O 121.131 0.491 . . . . 0.0 111.303 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 20' ' ' ASP . . . -94.03 160.77 14.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.001 173.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -130.3 112.99 13.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.887 0.851 . . . . 0.0 112.191 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mmm -116.45 143.87 45.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.319 -1.31 . . . . 0.0 108.948 171.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.521 ' H ' HD12 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -71.35 163.63 27.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.349 -175.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -61.75 127.65 32.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.744 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.95 1.02 63.42 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.901 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.521 HD12 ' H ' ' A' ' 10' ' ' GLN . 16.4 mt -94.84 154.45 39.82 Favored Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 122.625 -0.338 . . . . 0.0 110.48 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -66.94 123.43 10.98 Favored 'Trans proline' 0 CA--C 1.521 -0.162 0 C-N-CA 122.884 2.389 . . . . 0.0 112.267 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.602 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 13.7 p -131.38 138.57 49.19 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.9 mmt -118.23 -19.89 8.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.541 0.686 . . . . 0.0 109.762 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HG2' HG22 ' A' ' 19' ' ' VAL . 41.6 tt0 -107.47 131.09 54.68 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.275 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -55.65 -34.48 65.0 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.231 -171.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.461 HG22 ' HG2' ' A' ' 17' ' ' GLU . 28.9 m -88.58 -0.36 7.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.54 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.441 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 19.4 t70 -66.3 -18.67 65.49 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.779 0.8 . . . . 0.0 110.238 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.51 137.26 35.86 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.043 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -25.45 62.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.976 -175.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -93.5 -6.81 45.98 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 111.295 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.87 27.84 68.09 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 114.28 0.472 . . . . 0.0 114.28 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.6 t -126.56 109.0 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 118.031 0.915 . . . . 0.0 111.833 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.1 m -106.36 127.15 53.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.398 170.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -147.87 128.52 14.19 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 m 57.66 69.42 0.74 Allowed 'General case' 0 C--N 1.343 0.316 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.602 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 93.5 mt -41.09 88.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 123.158 1.456 . . . . 0.0 114.188 -139.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -152.09 149.12 28.46 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 111.588 -2.551 . . . . 0.0 105.603 164.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.4 m -57.86 110.32 0.89 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.155 0.502 . . . . 0.0 110.945 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.527 HD12 ' CE2' ' A' ' 33' ' ' TYR . 2.1 tm? -72.65 -44.05 62.4 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.979 -174.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.527 ' CE2' HD12 ' A' ' 32' ' ' LEU . 75.7 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.049 -0.976 . . . . 0.0 109.428 175.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.423 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 8.9 mp . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.4 mt 68.6 67.33 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 109.982 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -146.24 -55.53 0.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.188 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 p -118.1 125.23 49.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.801 -175.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.4 ' O ' HG22 ' A' ' 6' ' ' ILE . 23.6 mt -98.43 44.73 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-O 121.742 0.782 . . . . 0.0 111.58 -168.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.741 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -94.32 143.08 26.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 167.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.485 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 14.1 p -133.82 148.01 51.28 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.199 -1.001 . . . . 0.0 113.349 -171.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 81.3 mmm -100.79 142.94 31.55 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.1 -1.409 . . . . 0.0 108.166 172.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -76.91 175.67 9.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.78 0.324 . . . . 0.0 111.794 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -47.52 129.72 13.53 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.869 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.25 9.01 70.71 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 113.992 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.435 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 73.6 mt -114.46 152.38 46.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 117.682 0.741 . . . . 0.0 111.309 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 15.4 Cg_exo -66.7 132.03 27.59 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.289 2.66 . . . . 0.0 112.472 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 21.8 p -138.5 128.6 25.6 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.452 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -112.26 1.96 16.37 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.527 0.68 . . . . 0.0 110.685 -173.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' OE2' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -126.35 138.45 53.57 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.042 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 85.3 t60 -49.51 -47.67 48.64 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -171.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG22 ' OE2' ' A' ' 17' ' ' GLU . 35.6 m -87.93 0.43 7.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.842 -178.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.741 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 28.3 t70 -72.29 -4.47 29.84 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.416 0.626 . . . . 0.0 109.769 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 50.3 t -99.08 134.84 41.35 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 170.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.485 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 72.0 m -67.85 -10.26 51.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.693 0.282 . . . . 0.0 111.091 178.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -101.28 -0.97 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.753 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.17 -2.4 65.93 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 114.61 0.604 . . . . 0.0 114.61 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.8 t -120.19 108.92 24.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 117.854 0.827 . . . . 0.0 111.564 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 86.2 m -107.41 109.14 20.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.167 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -136.79 130.95 32.68 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m 58.11 68.34 0.85 Allowed 'General case' 0 C--N 1.343 0.313 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 -175.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 86.3 mt -41.28 88.48 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 123.015 1.388 . . . . 0.0 113.733 -140.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -152.2 165.14 35.77 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 111.489 -2.596 . . . . 0.0 105.076 166.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.9 m -57.69 112.43 1.45 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.05 169.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.01 -36.56 84.81 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.878 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.364 -0.827 . . . . 0.0 109.856 175.468 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 17' ' ' GLU . 9.3 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 55.1 mt 62.92 80.45 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 121.19 0.519 . . . . 0.0 110.423 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -135.69 -71.87 0.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.513 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -170.93 53.82 0.03 OUTLIER 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 111.816 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.1 mt -124.28 134.93 65.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.691 0.281 . . . . 0.0 110.409 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.21 158.44 19.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 74.0 m -57.74 140.35 51.69 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -173.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.613 ' HG3' ' SG ' ' A' ' 31' ' ' CYS . 8.1 ptp -120.19 165.49 14.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.09 169.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -90.88 171.86 9.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.12 0.486 . . . . 0.0 111.739 -173.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -58.53 129.42 41.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.442 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.91 -3.61 58.78 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.488 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.448 ' HB3' ' SD ' ' A' ' 9' ' ' MET . 11.1 mp -94.07 154.39 40.64 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 117.378 0.589 . . . . 0.0 110.51 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.458 ' O ' ' HE1' ' A' ' 9' ' ' MET . 3.6 Cg_exo -76.42 119.38 5.22 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.06 2.507 . . . . 0.0 112.085 -178.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 29.8 p -106.97 154.72 20.67 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -175.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.2 mmt -120.75 -33.16 3.85 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.405 -0.518 . . . . 0.0 112.048 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.476 ' OE2' HG22 ' A' ' 19' ' ' VAL . 9.2 pt-20 -120.9 170.75 9.19 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.197 177.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -58.45 -47.62 83.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.476 HG22 ' OE2' ' A' ' 17' ' ' GLU . 18.9 m -87.21 3.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -174.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.47 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 38.0 t0 -59.23 -34.71 72.53 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.735 0.779 . . . . 0.0 109.308 -177.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 62.4 m -99.06 136.11 39.5 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -11.58 56.15 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -174.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -83.12 -16.22 47.68 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.508 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.3 15.77 63.76 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.063 -0.589 . . . . 0.0 114.514 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.0 t -126.59 110.35 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 118.519 1.159 . . . . 0.0 111.795 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 t -106.26 121.86 45.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.868 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -154.34 141.85 19.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 118.948 -0.549 . . . . 0.0 109.778 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.5 m 53.2 66.79 1.13 Allowed 'General case' 0 C--N 1.347 0.496 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.672 HD22 ' H ' ' A' ' 29' ' ' LEU . 3.1 mm? -41.37 86.74 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 122.748 1.261 . . . . 0.0 113.287 -137.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -153.17 154.87 35.6 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 112.169 -2.287 . . . . 0.0 106.054 167.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.613 ' SG ' ' HG3' ' A' ' 9' ' ' MET . 67.1 m -55.68 105.27 0.17 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.074 0.464 . . . . 0.0 110.641 174.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.457 HD12 ' CE2' ' A' ' 33' ' ' TYR . 2.5 tm? -64.72 -40.3 95.1 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.599 -176.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.457 ' CE2' HD12 ' A' ' 32' ' ' LEU . 71.9 m-85 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.025 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 17' ' ' GLU . 5.6 mp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.515 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 51.3 mt 61.18 74.25 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 121.439 0.637 . . . . 0.0 110.798 -176.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -150.89 -40.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.892 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 t -126.97 119.22 26.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.169 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.8 mt -94.08 77.36 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.392 0.615 . . . . 0.0 111.577 -171.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.416 ' HB3' ' OD1' ' A' ' 20' ' ' ASP . . . -94.64 159.77 14.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 168.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 t -121.56 115.18 22.32 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.898 177.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.9 mmm -94.53 151.21 19.52 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.911 172.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.599 ' H ' HD12 ' A' ' 13' ' ' LEU . 15.1 mm100 -73.9 170.36 15.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.602 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -64.42 130.41 43.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.14 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.98 3.84 85.04 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.007 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.599 HD12 ' H ' ' A' ' 10' ' ' GLN . 11.5 mt -97.66 155.4 37.25 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 117.145 0.472 . . . . 0.0 110.673 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 15.9 Cg_exo -67.57 121.54 8.64 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.903 2.402 . . . . 0.0 111.854 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 22.2 p -123.58 135.52 54.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.3 mmt -99.33 -15.04 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.672 -170.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 13.0 pt-20 -147.02 155.24 42.08 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -49.42 -46.03 47.13 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -172.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.0 m -81.65 -0.75 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -175.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.481 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 23.5 t70 -79.3 -19.01 51.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.943 0.877 . . . . 0.0 109.126 175.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.9 t -100.07 132.22 45.56 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.178 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -10.92 19.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 174.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -101.26 -3.09 29.58 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.169 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.16 -2.65 50.72 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 114.77 0.668 . . . . 0.0 114.77 173.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.49 108.65 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 117.997 0.899 . . . . 0.0 111.161 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.7 m -108.71 108.99 20.05 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.582 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -139.88 140.51 36.49 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 176.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.6 p 49.71 68.79 0.68 Allowed 'General case' 0 C--N 1.346 0.42 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -173.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 94.0 mt -41.3 89.11 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 123.009 1.385 . . . . 0.0 113.711 -141.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -151.25 161.38 42.82 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 111.631 -2.531 . . . . 0.0 104.843 166.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.8 m -57.18 105.97 0.28 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.531 170.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.63 -42.85 93.64 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.73 -173.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.378 177.522 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.411 ' N ' ' HB2' ' A' ' 17' ' ' GLU . 12.5 tt 37.79 86.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.18 0.992 . . . . 0.0 113.465 178.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -130.39 -20.61 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.905 177.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.505 ' O ' HG21 ' A' ' 19' ' ' VAL . 13.1 t -137.23 -167.06 2.03 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.0 mt -132.73 33.95 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 122.048 0.927 . . . . 0.0 109.697 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -94.62 150.09 20.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.079 174.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.8 p -140.54 148.83 41.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 119.798 -0.761 . . . . 0.0 112.063 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.426 ' HB3' ' HB2' ' A' ' 13' ' ' LEU . 86.4 mmm -103.34 150.81 23.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.232 177.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.578 ' H ' HD12 ' A' ' 13' ' ' LEU . 2.0 mp0 -69.3 170.7 9.77 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.111 -178.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -57.29 125.94 25.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.145 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.38 6.17 81.38 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.135 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.578 HD12 ' H ' ' A' ' 10' ' ' GLN . 18.7 mt -98.83 151.44 37.41 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.868 0.334 . . . . 0.0 110.249 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.416 ' O ' ' HG3' ' A' ' 9' ' ' MET . 20.4 Cg_exo -64.54 121.5 9.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.993 2.462 . . . . 0.0 111.981 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.511 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 15.9 p -128.67 135.91 49.91 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.7 mmt -110.11 -16.19 13.85 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -170.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.603 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 14.0 pt-20 -127.21 153.33 46.23 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -50.16 -39.8 44.67 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -170.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 5' ' ' SER . 22.8 m -86.34 -4.63 9.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -175.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.603 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 25.6 t70 -77.72 -0.34 26.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.606 0.717 . . . . 0.0 109.965 -177.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.9 t -100.65 125.38 47.05 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 168.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.8 m -63.16 -10.6 15.76 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.681 0.277 . . . . 0.0 111.544 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -109.49 13.33 24.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.004 0.43 . . . . 0.0 110.902 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.6 -2.38 78.85 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 115.322 0.889 . . . . 0.0 115.322 167.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.3 t -125.41 112.66 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 118.406 1.103 . . . . 0.0 112.077 -176.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.0 m -105.58 114.87 29.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.895 173.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -144.15 134.89 25.01 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 m 57.33 67.94 0.91 Allowed 'General case' 0 C--N 1.34 0.19 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.49 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 96.3 mt -40.9 88.48 0.0 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-O 123.035 1.398 . . . . 0.0 113.736 -140.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -151.25 154.78 37.46 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 111.707 -2.497 . . . . 0.0 105.75 168.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.4 t -61.26 104.08 0.36 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 174.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.61 -47.65 71.98 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.99 -164.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.526 -176.849 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.522 ' HG ' ' HA ' ' A' ' 17' ' ' GLU . 10.6 mp . . . . . 0 N--CA 1.47 0.555 0 CA-C-O 120.85 0.357 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.9 mt 66.22 76.13 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.089 0.471 . . . . 0.0 111.113 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -139.63 -62.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.107 0.48 . . . . 0.0 110.377 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 19' ' ' VAL . 32.8 m -114.2 117.77 32.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.31 -177.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.7 mt -84.3 83.3 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.723 0.773 . . . . 0.0 110.645 -173.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.75 162.58 13.87 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.26 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.7 t -122.2 136.37 54.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.463 0.649 . . . . 0.0 111.599 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.435 ' SD ' ' HB3' ' A' ' 15' ' ' CYS . 10.4 ptp -143.7 164.43 30.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.864 -1.062 . . . . 0.0 108.698 177.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -99.93 172.69 7.07 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.932 0.396 . . . . 0.0 110.988 -177.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -58.93 131.97 52.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.247 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.78 -4.31 63.36 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.108 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mp -91.21 150.3 41.31 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 30' ' ' PHE . 4.3 Cg_exo -78.91 118.81 4.17 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.729 2.286 . . . . 0.0 111.714 -177.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 14.8 p -110.52 140.1 45.12 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.0 mmt -109.84 -14.47 14.29 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.332 -0.547 . . . . 0.0 112.053 -172.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 15.3 pt-20 -140.19 150.74 44.55 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.26 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -45.64 -44.87 13.58 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.48 0.487 . . . . 0.0 112.224 -174.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 5' ' ' SER . 29.6 m -87.61 1.02 6.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -175.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.545 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 23.2 t0 -65.94 -21.31 66.42 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.723 0.773 . . . . 0.0 109.766 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.8 m -99.8 135.06 41.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.842 171.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -27.18 69.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.298 0.57 . . . . 0.0 110.692 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -83.95 -3.17 57.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.647 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.76 20.7 77.67 Favored Glycine 0 C--O 1.225 -0.45 0 N-CA-C 115.732 1.053 . . . . 0.0 115.732 168.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -127.51 109.62 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 118.968 1.384 . . . . 0.0 112.139 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.3 m -108.29 123.32 48.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.542 173.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -148.69 129.31 14.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.2 m 58.03 68.13 0.87 Allowed 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 64.8 mt -41.03 87.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 123.143 1.449 . . . . 0.0 113.714 -142.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 14' ' ' PRO . 44.4 m-85 -151.77 150.63 30.38 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 111.327 -2.669 . . . . 0.0 104.715 164.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.7 t -58.33 109.04 0.7 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.031 0.444 . . . . 0.0 110.042 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.16 -39.51 89.83 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.858 -171.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.767 175.726 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.9 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.9 mt 72.72 65.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.629 0.728 . . . . 0.0 110.496 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -139.57 -72.52 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.418 173.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.406 ' O ' HG23 ' A' ' 19' ' ' VAL . 17.1 p -90.73 122.01 33.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.416 -175.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.4 mt -103.19 56.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.531 0.682 . . . . 0.0 111.191 -171.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.43 136.4 35.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.3 m -95.77 136.37 36.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.217 0.532 . . . . 0.0 111.842 -176.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.572 ' SD ' ' HB2' ' A' ' 31' ' ' CYS . 5.9 ptp -114.41 163.75 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.162 174.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -83.94 165.75 18.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.882 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.36 136.66 58.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.206 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.11 -21.39 37.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 113.212 175.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.54 ' HB2' ' SD ' ' A' ' 9' ' ' MET . 88.0 mt -78.55 152.45 78.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.757 0.279 . . . . 0.0 110.355 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.425 ' O ' ' HE1' ' A' ' 9' ' ' MET . 8.7 Cg_exo -70.0 119.78 6.65 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.546 2.164 . . . . 0.0 111.753 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 20.8 p -112.71 135.57 53.3 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.438 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -127.06 14.37 7.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 122.241 1.02 . . . . 0.0 108.487 175.855 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 20' ' ' ASP . 5.1 tp10 -134.28 137.71 44.47 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 113.55 -1.659 . . . . 0.0 107.938 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -67.69 -42.06 82.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.102 -172.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 5' ' ' SER . 28.7 m -87.66 2.36 5.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.497 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.487 ' HB2' ' HB3' ' A' ' 17' ' ' GLU . 15.4 t0 -61.9 -26.3 68.08 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.84 0.828 . . . . 0.0 109.747 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.9 m -99.08 135.26 40.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.026 172.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -20.92 65.29 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.92 0.391 . . . . 0.0 111.141 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -84.93 -7.15 59.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.01 24.18 74.45 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 114.646 0.619 . . . . 0.0 114.646 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.8 t -126.21 108.78 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 118.239 1.019 . . . . 0.0 111.973 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.7 t -107.7 113.27 26.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 170.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -147.2 135.16 21.35 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.267 -175.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.9 t 55.42 67.78 0.96 Allowed 'General case' 0 C--N 1.346 0.425 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.558 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 81.0 mt -43.35 86.31 0.0 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-O 122.998 1.38 . . . . 0.0 113.675 -140.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -152.93 147.77 26.35 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 111.652 -2.522 . . . . 0.0 105.122 165.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.572 ' HB2' ' SD ' ' A' ' 9' ' ' MET . 7.3 t -59.15 111.58 1.39 Allowed 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.422 HD23 ' CE2' ' A' ' 33' ' ' TYR . 19.9 tp -73.14 -44.42 60.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.667 -174.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.422 ' CE2' HD23 ' A' ' 32' ' ' LEU . 80.3 m-85 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.644 -0.693 . . . . 0.0 110.2 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.465 ' HG ' ' HA ' ' A' ' 17' ' ' GLU . 9.2 mp . . . . . 0 N--CA 1.47 0.565 0 CA-C-O 120.596 0.236 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.436 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 36.2 mm 58.99 81.4 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-O 120.96 0.41 . . . . 0.0 111.308 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -136.27 -44.07 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.1 0.476 . . . . 0.0 110.792 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -135.93 -175.61 4.03 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.619 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.5 mt -125.98 65.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.615 0.722 . . . . 0.0 110.126 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.37 160.77 14.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.376 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 43.1 t -137.64 153.13 49.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.302 0.572 . . . . 0.0 111.806 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.544 ' SD ' ' HB3' ' A' ' 15' ' ' CYS . 7.6 ptp -144.16 168.92 18.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.118 -177.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -90.2 170.27 10.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.048 175.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -66.65 130.84 44.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.993 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.78 -0.31 48.8 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.978 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 11.1 mp -95.82 152.51 39.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 30' ' ' PHE . 5.6 Cg_exo -77.34 118.73 4.72 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.918 2.412 . . . . 0.0 111.912 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.598 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 18.5 p -119.9 136.09 54.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.18 -33.3 7.87 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.831 -171.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HA ' ' HG ' ' A' ' 2' ' ' LEU . 12.8 pt-20 -106.92 146.55 30.89 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.385 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -45.26 -46.8 12.76 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.34 0.656 . . . . 0.0 112.685 -171.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.3 m -88.39 1.46 6.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -173.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.598 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 11.6 t70 -62.18 -24.36 67.15 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.26 0.552 . . . . 0.0 111.256 -174.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 t -100.77 138.85 37.27 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 171.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.0 m -53.02 -21.92 5.12 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -84.82 -13.0 52.41 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.834 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.67 8.78 87.45 Favored Glycine 0 C--O 1.221 -0.696 0 N-CA-C 114.694 0.638 . . . . 0.0 114.694 171.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.2 t -122.82 109.6 24.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 118.465 1.133 . . . . 0.0 111.703 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.5 m -107.73 118.44 36.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.397 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -144.31 134.08 23.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m 56.24 68.41 0.86 Allowed 'General case' 0 C--N 1.343 0.298 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.443 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 84.6 mt -40.95 88.31 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 122.838 1.304 . . . . 0.0 113.74 -140.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.434 ' HA ' ' HA ' ' A' ' 14' ' ' PRO . 57.8 m-85 -151.66 153.84 35.21 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 111.665 -2.516 . . . . 0.0 105.023 166.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.0 t -59.56 113.48 2.24 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.381 176.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -70.47 -38.18 74.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.099 -171.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 . . . . . 0 C--O 1.244 0.78 0 CA-C-O 118.606 -0.712 . . . . 0.0 111.145 -178.904 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 17' ' ' GLU . 52.9 mt . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.523 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 64.3 mt 67.66 90.22 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.344 0.592 . . . . 0.0 111.415 -177.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -142.01 -44.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.095 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -149.05 138.58 21.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.146 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.8 mt -88.4 82.14 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.657 0.741 . . . . 0.0 111.226 -171.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.4 160.1 15.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.426 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.85 113.3 17.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.572 0.701 . . . . 0.0 111.552 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.481 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 91.0 mmm -109.52 144.33 37.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.209 174.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -73.75 164.24 26.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 -177.488 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -61.05 129.34 40.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.216 -176.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.55 -2.45 70.45 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.915 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 10.0 mp -93.82 154.72 40.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 122.642 -0.328 . . . . 0.0 110.452 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -66.83 121.62 8.85 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.909 2.406 . . . . 0.0 112.231 -177.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 13.1 p -118.57 148.53 42.56 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.7 mmt -123.52 -2.8 8.39 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.349 -0.54 . . . . 0.0 112.044 -175.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.523 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 10.2 pt-20 -149.59 153.15 36.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 175.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -46.51 -46.97 19.51 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -172.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.3 m -88.26 -0.19 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -174.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.443 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 31.9 t70 -64.38 -19.11 65.28 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.776 0.798 . . . . 0.0 110.492 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.7 m -98.69 136.43 38.76 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.642 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -55.09 -28.86 55.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.098 -176.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -100.19 5.45 44.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.976 0.417 . . . . 0.0 111.105 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.63 31.17 77.75 Favored Glycine 0 C--O 1.225 -0.421 0 N-CA-C 115.561 0.984 . . . . 0.0 115.561 170.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.5 t -127.46 109.62 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 118.624 1.212 . . . . 0.0 111.887 174.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 m -106.8 114.82 29.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.247 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -140.45 121.5 14.67 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.4 t 60.33 70.03 0.65 Allowed 'General case' 0 C--N 1.345 0.408 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -175.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.601 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 89.6 mt -40.11 87.75 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 122.996 1.379 . . . . 0.0 113.796 -142.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -151.64 150.33 30.15 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 111.693 -2.503 . . . . 0.0 105.071 165.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 9' ' ' MET . 64.1 m -61.12 105.3 0.47 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.222 0.534 . . . . 0.0 111.283 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.517 HD12 ' CE2' ' A' ' 33' ' ' TYR . 2.3 tm? -67.28 -45.9 75.22 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.673 -176.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.517 ' CE2' HD12 ' A' ' 32' ' ' LEU . 85.6 m-85 . . . . . 0 C--O 1.243 0.717 0 CA-C-O 118.853 -0.594 . . . . 0.0 109.684 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 17' ' ' GLU . 1.8 mm? . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.2 mt 54.77 82.86 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 123.672 0.608 . . . . 0.0 112.185 175.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -132.61 -70.99 0.54 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.881 175.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 44.1 p -176.71 118.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 -176.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' A' ' 5' ' ' SER . 17.1 tt -179.36 158.72 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 120.632 0.254 . . . . 0.0 110.571 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.43 145.79 31.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.425 ' HB2' ' CA ' ' A' ' 22' ' ' CYS . 28.1 p -82.18 140.88 33.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.358 0.599 . . . . 0.0 111.619 -173.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 95.6 mmm -89.59 155.65 19.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.828 176.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.652 ' H ' HD12 ' A' ' 13' ' ' LEU . 23.4 mt-30 -76.15 175.26 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.459 -178.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -62.51 130.96 47.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.616 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.91 9.67 84.09 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.94 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.652 HD12 ' H ' ' A' ' 10' ' ' GLN . 16.2 mt -105.49 155.91 37.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.869 0.334 . . . . 0.0 110.566 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 9' ' ' MET . 14.3 Cg_exo -67.75 130.68 22.45 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.173 2.582 . . . . 0.0 112.131 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 14.6 p -138.67 128.44 25.0 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.468 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -107.43 -31.19 8.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.894 0.378 . . . . 0.0 110.89 -174.23 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.462 ' HA ' HD12 ' A' ' 2' ' ' LEU . 38.1 tt0 -98.32 143.04 29.22 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.46 ' H ' ' HB3' ' A' ' 2' ' ' LEU . 67.0 t60 -49.9 -44.59 50.15 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.108 0.413 . . . . 0.0 112.113 -172.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 m -84.21 -0.9 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.794 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.484 ' OD2' ' HA ' ' A' ' 15' ' ' CYS . 35.4 t0 -72.81 -13.5 61.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.741 0.782 . . . . 0.0 109.158 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.56 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 49.6 t -98.57 130.47 45.12 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.753 174.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.425 ' CA ' ' HB2' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -75.8 -9.32 58.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.0 0.428 . . . . 0.0 110.448 178.112 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -97.63 1.91 49.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.013 0.435 . . . . 0.0 110.397 174.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.84 -2.5 68.49 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 114.964 0.746 . . . . 0.0 114.964 170.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.0 t -126.39 110.7 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 118.279 1.039 . . . . 0.0 111.811 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.4 m -105.89 107.67 18.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.199 176.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -143.7 138.67 29.05 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 p 49.6 68.95 0.65 Allowed 'General case' 0 C--N 1.348 0.505 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -171.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.474 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 83.9 mt -43.22 88.16 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 123.013 1.387 . . . . 0.0 114.072 -140.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -151.92 164.61 36.76 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 111.786 -2.461 . . . . 0.0 105.544 167.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.0 m -59.85 106.38 0.48 Allowed 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.517 168.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.5 tp -60.83 -45.01 96.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.572 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 C--O 1.251 1.156 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.927 177.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.6 mt 66.92 71.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.67 0.748 . . . . 0.0 109.89 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 80.6 mm-40 -113.91 -80.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.807 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -179.49 31.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.451 HD12 ' HG2' ' A' ' 17' ' ' GLU . 93.8 mt -93.46 144.52 9.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.821 -176.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.79 159.29 30.24 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.365 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.701 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 5.5 t -76.06 139.64 41.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.378 0.609 . . . . 0.0 112.552 -175.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.0 mmm -100.94 163.59 12.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.114 175.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.574 ' H ' HD12 ' A' ' 13' ' ' LEU . 16.4 mm100 -75.54 172.03 13.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.999 0.428 . . . . 0.0 110.93 178.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -62.84 127.74 32.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.069 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.02 9.41 84.33 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.88 -0.6 . . . . 0.0 113.502 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.574 HD12 ' H ' ' A' ' 10' ' ' GLN . 11.2 mt -96.37 158.05 34.49 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 117.344 0.572 . . . . 0.0 110.635 -178.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.36 127.52 21.2 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.087 2.525 . . . . 0.0 112.485 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.703 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 31.1 p -120.23 148.7 43.34 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 177.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -118.14 -33.03 4.54 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.429 178.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.647 ' OE1' HG22 ' A' ' 19' ' ' VAL . 3.3 pt-20 -116.36 179.46 3.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.192 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -69.06 -47.73 64.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.527 0.195 . . . . 0.0 111.527 -173.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.647 HG22 ' OE1' ' A' ' 17' ' ' GLU . 4.9 m -84.53 2.44 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 111.273 -175.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.701 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 7.3 t0 -60.27 -32.16 70.9 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.211 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 83.9 m -100.83 137.03 39.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.013 173.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.402 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 79.4 m -51.94 -35.9 47.45 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 177.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -85.91 3.09 43.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 111.228 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.48 -2.49 72.0 Favored Glycine 0 C--O 1.223 -0.587 0 N-CA-C 115.546 0.979 . . . . 0.0 115.546 168.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.7 t -110.23 110.04 30.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 118.932 1.366 . . . . 0.0 112.5 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.1 t -105.89 118.32 36.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.083 175.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -148.07 134.11 19.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 118.952 -0.547 . . . . 0.0 109.884 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.6 m 55.01 68.13 0.91 Allowed 'General case' 0 C--N 1.347 0.473 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.703 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 61.7 mt -41.34 86.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 123.065 1.412 . . . . 0.0 113.944 -137.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -152.71 150.94 29.97 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 111.567 -2.561 . . . . 0.0 105.641 166.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.5 m -53.5 112.44 0.9 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 118.318 0.508 . . . . 0.0 110.822 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.43 -44.04 72.11 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.235 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.511 -0.757 . . . . 0.0 109.593 174.579 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.656 0.265 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.1 mt 72.29 56.06 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 121.569 0.699 . . . . 0.0 110.239 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -119.3 -91.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.775 173.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.484 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 14.8 t -175.73 138.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.351 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' A' ' 5' ' ' SER . 15.4 tt 174.59 169.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.3 153.93 42.76 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.47 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 19.4 p -111.56 147.73 34.78 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.812 0.815 . . . . 0.0 112.436 -172.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.1 mmm -97.42 163.13 13.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.033 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.614 ' H ' HD12 ' A' ' 13' ' ' LEU . 74.3 mt-30 -78.8 175.62 10.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.684 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.53 ' HG3' ' OXT' ' A' ' 33' ' ' TYR . 25.0 ttmm -57.44 129.64 42.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.508 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.5 7.81 87.02 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.684 -0.689 . . . . 0.0 113.892 176.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.614 HD12 ' H ' ' A' ' 10' ' ' GLN . 14.6 mt -93.75 154.75 40.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 117.636 0.718 . . . . 0.0 110.533 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -64.85 130.68 26.73 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.208 2.605 . . . . 0.0 112.345 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.6 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 13.9 p -135.97 142.69 44.58 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.439 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.425 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -124.33 10.92 8.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.769 0.795 . . . . 0.0 109.425 175.311 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.45 ' CD ' HG22 ' A' ' 19' ' ' VAL . 2.0 tp10 -146.06 133.7 21.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.629 -1.168 . . . . 0.0 108.561 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -53.66 -48.04 69.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 118.006 0.366 . . . . 0.0 111.76 -175.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.45 HG22 ' CD ' ' A' ' 17' ' ' GLU . 22.0 m -80.24 -0.87 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.129 0.49 . . . . 0.0 111.115 -177.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.469 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 7.5 t70 -69.9 -19.62 63.41 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 173.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 94.2 m -101.12 137.35 39.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.92 171.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.47 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 58.0 m -64.96 -15.41 62.15 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -97.78 -6.05 33.56 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.572 174.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.95 5.84 88.81 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.841 0.696 . . . . 0.0 114.841 173.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.4 t -115.64 110.83 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 118.205 1.003 . . . . 0.0 112.178 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.1 m -106.46 123.12 47.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.221 173.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -149.56 130.87 14.64 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m 58.38 68.36 0.84 Allowed 'General case' 0 C--N 1.342 0.276 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -176.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.6 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 84.5 mt -40.31 87.95 0.0 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-O 123.139 1.447 . . . . 0.0 113.805 -141.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -151.91 158.48 43.24 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 111.482 -2.599 . . . . 0.0 105.68 166.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.1 m -59.84 105.09 0.35 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.083 0.468 . . . . 0.0 110.328 173.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.459 HD12 ' CE2' ' A' ' 33' ' ' TYR . 3.1 tm? -63.27 -45.99 88.9 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.916 -175.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.53 ' OXT' ' HG3' ' A' ' 11' ' ' LYS . 81.4 m-85 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.865 176.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.504 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 7.0 mp . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.0 mt 64.83 65.72 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -171.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -137.26 -75.89 0.41 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.291 -174.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.501 ' H ' ' HG3' ' A' ' 17' ' ' GLU . 10.4 m -82.49 154.23 25.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.749 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.0 mm -111.88 -11.93 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.359 0.6 . . . . 0.0 110.49 -177.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.472 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -75.26 142.71 43.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 176.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.52 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 14.4 p -119.8 141.19 49.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.913 0.863 . . . . 0.0 112.669 -171.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mmm -94.94 158.62 15.39 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.164 -1.38 . . . . 0.0 108.924 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.614 ' H ' HD12 ' A' ' 13' ' ' LEU . 1.5 mp0 -73.54 175.22 7.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.315 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -62.09 134.79 57.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.308 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.46 9.69 84.49 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.915 -0.66 . . . . 0.0 113.014 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.614 HD12 ' H ' ' A' ' 10' ' ' GLN . 16.1 mt -104.62 158.06 32.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 122.556 -0.379 . . . . 0.0 110.505 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -64.66 124.54 13.38 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.73 2.286 . . . . 0.0 111.611 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.479 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 15.4 p -136.67 130.57 32.35 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.2 mmt -104.78 -17.53 14.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.037 0.446 . . . . 0.0 111.066 -171.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.568 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 1.3 pm0 -131.65 152.01 51.18 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.718 173.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -46.95 -46.41 21.46 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -171.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.0 t -78.15 -9.21 12.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.203 0.525 . . . . 0.0 111.441 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.568 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 21.9 t70 -73.81 -10.36 59.59 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.55 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -101.65 137.98 39.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 164.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.52 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 57.8 m -64.64 -12.25 43.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.515 177.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -99.37 -6.72 27.32 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.74 0.305 . . . . 0.0 110.958 176.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.24 -2.68 88.06 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 115.479 0.951 . . . . 0.0 115.479 169.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.5 t -117.9 108.73 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 118.688 1.244 . . . . 0.0 111.829 -175.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 87.7 m -109.6 125.93 53.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.496 175.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -153.53 143.46 22.03 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 175.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.0 p 48.81 68.12 0.75 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -173.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -42.99 88.38 0.0 OUTLIER 'General case' 0 C--O 1.231 0.093 0 CA-C-O 123.366 1.555 . . . . 0.0 114.401 -139.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -150.76 161.51 42.5 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 110.999 -2.819 . . . . 0.0 103.402 162.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.99 119.86 9.68 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 118.676 -1.21 . . . . 0.0 109.812 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.52 -36.88 81.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.963 -172.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.423 -0.798 . . . . 0.0 110.458 177.82 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 54.6 mt . . . . . 0 C--O 1.235 0.338 0 N-CA-C 110.714 -0.106 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.5 mt 64.88 67.65 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.578 0.704 . . . . 0.0 110.103 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -143.79 -41.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.258 -175.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 p -144.37 -172.39 3.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.103 -174.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.6 mt -134.45 68.35 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.552 0.691 . . . . 0.0 111.329 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.516 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -95.34 161.29 14.15 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 172.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 36.4 t -135.04 129.19 33.68 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.855 0.836 . . . . 0.0 112.883 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.4 mmm -111.18 162.56 14.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.103 -1.408 . . . . 0.0 109.247 174.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.679 ' H ' HD12 ' A' ' 13' ' ' LEU . 15.5 mm100 -91.88 175.37 6.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.527 -178.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 33' ' ' TYR . 24.3 ttmm -55.99 125.63 22.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.291 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.26 9.12 80.37 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.887 -0.597 . . . . 0.0 113.837 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.679 HD12 ' H ' ' A' ' 10' ' ' GLN . 10.1 mt -97.63 155.39 37.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 117.535 0.667 . . . . 0.0 110.87 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 13.8 Cg_exo -68.6 124.8 11.96 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.173 2.582 . . . . 0.0 111.876 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.596 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 15.2 p -129.94 135.95 48.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -122.64 7.15 9.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.44 0.638 . . . . 0.0 110.484 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -129.56 136.1 49.4 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.473 176.697 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -51.03 -46.79 61.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.143 0.429 . . . . 0.0 111.582 -172.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 m -88.31 2.04 6.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.183 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.634 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 36.2 t70 -62.06 -19.93 63.44 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 121.358 0.599 . . . . 0.0 110.123 -175.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.7 m -99.86 128.71 45.93 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 167.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.1 m -50.69 -27.66 7.48 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -75.63 -16.43 60.21 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.702 0.286 . . . . 0.0 111.101 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.0 12.62 76.46 Favored Glycine 0 C--O 1.227 -0.313 0 N-CA-C 115.06 0.784 . . . . 0.0 115.06 170.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 t -127.08 109.28 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 118.411 1.105 . . . . 0.0 112.058 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.9 m -107.36 123.63 48.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.417 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -149.43 134.79 18.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m 56.84 67.99 0.92 Allowed 'General case' 0 C--N 1.343 0.284 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.596 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 75.0 mt -41.48 87.49 0.0 OUTLIER 'General case' 0 C--O 1.234 0.257 0 CA-C-O 122.97 1.367 . . . . 0.0 113.7 -140.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -152.17 158.77 43.37 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 111.497 -2.592 . . . . 0.0 105.023 167.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.8 m -57.36 106.07 0.3 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 118.44 0.564 . . . . 0.0 110.046 173.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.86 -42.61 94.06 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.025 -175.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.44 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 65.4 m-85 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.694 174.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 17' ' ' GLU . 2.0 mm? . . . . . 0 N--CA 1.467 0.39 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.536 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 26.2 mm 58.97 87.2 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 O-C-N 123.336 0.398 . . . . 0.0 111.48 176.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.56 -61.11 0.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.891 0.377 . . . . 0.0 110.944 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 p -68.53 173.0 5.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.991 -174.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.451 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -133.18 15.13 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.695 0.76 . . . . 0.0 109.644 175.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.28 160.44 14.82 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.382 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.577 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 8.8 t -128.62 123.08 32.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.627 0.727 . . . . 0.0 112.575 -177.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.526 ' SD ' HD23 ' A' ' 13' ' ' LEU . 18.9 mmt -95.17 154.01 17.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.991 171.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.512 ' H ' HD22 ' A' ' 13' ' ' LEU . 16.5 mm100 -98.23 176.21 5.8 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.158 175.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -54.02 128.26 29.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.033 0.444 . . . . 0.0 111.792 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.68 -2.25 82.28 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.369 176.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.526 HD23 ' SD ' ' A' ' 9' ' ' MET . 11.1 mp -93.75 152.92 41.07 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.917 0.359 . . . . 0.0 110.485 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 12.7 Cg_exo -68.73 120.75 7.65 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.871 2.381 . . . . 0.0 112.021 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 12.4 p -130.36 141.11 50.58 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.7 mmt -104.2 -35.86 7.87 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.209 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.536 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 1.2 pm0 -128.47 153.34 47.25 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.873 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -45.26 -44.37 11.23 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -173.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.9 m -76.85 -2.03 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -173.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.577 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 6.2 t70 -79.4 -17.59 54.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.731 0.777 . . . . 0.0 109.076 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.3 m -101.26 134.25 44.6 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.08 174.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 64.5 m -57.14 -30.45 64.44 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.732 0.301 . . . . 0.0 111.023 171.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -87.93 3.47 48.45 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.573 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.34 -2.09 22.98 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 115.731 1.053 . . . . 0.0 115.731 170.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.6 t -116.89 109.75 28.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 118.701 1.25 . . . . 0.0 112.383 -175.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 38.3 m -108.1 125.44 51.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.35 171.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -154.36 133.72 12.64 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t 57.62 68.2 0.87 Allowed 'General case' 0 C--N 1.343 0.316 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -175.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.1 mt -42.76 87.56 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 123.152 1.453 . . . . 0.0 113.889 -142.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -152.14 153.82 34.63 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 111.591 -2.549 . . . . 0.0 104.463 164.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.27 110.67 1.0 Allowed 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.601 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.35 -46.79 72.34 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.572 -167.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.257 179.639 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 2' ' ' LEU . 5.5 mp . . . . . 0 C--O 1.236 0.344 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.8 mt 68.98 66.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.799 0.809 . . . . 0.0 109.907 -175.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -133.58 -69.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.289 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 p -90.32 167.54 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.225 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.443 ' O ' HG22 ' A' ' 6' ' ' ILE . 22.1 mm -123.55 38.56 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.86 0.838 . . . . 0.0 110.886 -176.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.625 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -94.64 156.85 16.23 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 171.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.427 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 13.3 p -148.32 145.1 27.99 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.596 -0.842 . . . . 0.0 112.233 178.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 87.5 mmm -100.29 157.79 16.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.689 -1.141 . . . . 0.0 109.944 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.617 ' H ' HD12 ' A' ' 13' ' ' LEU . 16.2 mm100 -79.52 177.28 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.847 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -53.44 130.85 36.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.374 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.82 4.95 90.17 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.971 -0.633 . . . . 0.0 113.17 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.617 HD12 ' H ' ' A' ' 10' ' ' GLN . 12.0 mt -100.33 153.55 37.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 117.178 0.489 . . . . 0.0 110.847 -176.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.43 ' O ' ' HG3' ' A' ' 9' ' ' MET . 14.5 Cg_exo -68.36 129.11 18.49 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.314 2.676 . . . . 0.0 112.346 -178.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 14.5 p -141.22 131.78 25.45 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.512 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -114.35 -31.4 6.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.317 0.579 . . . . 0.0 110.047 -177.042 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' HB3' ' HB2' ' A' ' 20' ' ' ASP . 1.4 tp10 -83.57 136.35 34.28 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 86.4 t60 -50.03 -47.83 53.04 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -171.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -87.48 -0.42 7.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.133 -176.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.625 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 23.5 t70 -70.03 -5.02 23.68 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 121.328 0.585 . . . . 0.0 109.913 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.419 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 53.3 t -99.41 130.11 45.65 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 167.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.427 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 69.3 m -65.8 -10.7 40.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.7 0.286 . . . . 0.0 111.03 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -104.56 5.97 34.26 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.757 0.313 . . . . 0.0 110.829 176.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.91 -2.46 74.57 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 115.469 0.947 . . . . 0.0 115.469 167.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.9 t -124.04 110.49 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 118.533 1.167 . . . . 0.0 111.877 -176.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.0 m -106.43 109.05 20.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.422 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -142.64 147.16 35.32 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 p 48.66 66.76 0.99 Allowed 'General case' 0 C--N 1.346 0.441 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -173.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.512 HD13 ' HG3' ' A' ' 16' ' ' MET . 80.5 mt -42.92 87.89 0.0 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-O 123.257 1.503 . . . . 0.0 113.631 -138.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -152.3 169.61 22.08 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 111.259 -2.701 . . . . 0.0 105.098 168.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.67 108.63 0.51 Allowed 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.446 166.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.98 -45.17 94.8 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.849 -178.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.121 174.511 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.434 ' HA ' ' HB2' ' A' ' 17' ' ' GLU . 9.9 mp . . . . . 0 CA--C 1.529 0.157 0 N-CA-C 110.701 -0.111 . . . . 0.0 110.701 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.441 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 45.0 mt 58.84 79.55 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 121.371 0.605 . . . . 0.0 110.995 -178.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -135.68 -50.4 0.72 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.613 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 t -125.88 -172.92 2.71 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.2 mt -131.75 65.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.558 0.694 . . . . 0.0 110.832 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.13 160.66 14.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.283 172.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 18.2 t -132.49 119.31 20.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.597 0.713 . . . . 0.0 112.638 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.8 mmm -101.7 158.07 16.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.51 170.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.545 ' H ' HD22 ' A' ' 13' ' ' LEU . 16.0 mm100 -89.38 175.86 7.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.59 0.233 . . . . 0.0 111.054 -178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -56.06 130.02 42.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.419 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.74 0.91 90.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.98 -0.628 . . . . 0.0 113.339 176.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.545 HD22 ' H ' ' A' ' 10' ' ' GLN . 10.4 mp -94.86 152.52 39.74 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.906 0.353 . . . . 0.0 110.311 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 23.6 Cg_exo -63.17 121.0 8.69 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.81 2.34 . . . . 0.0 112.155 -177.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 17.0 p -128.46 135.58 49.66 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.5 mmt -107.04 -18.5 13.89 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.536 -0.465 . . . . 0.0 112.088 -170.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.489 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 13.6 pt-20 -130.19 151.88 50.23 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.285 177.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -45.5 -46.42 13.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.74 0.65 . . . . 0.0 112.712 -172.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.4 m -88.05 -1.06 8.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -173.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.54 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 21.2 t70 -63.82 -20.64 65.95 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.194 0.521 . . . . 0.0 111.207 -174.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -100.67 138.06 38.23 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 170.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.6 m -52.6 -24.39 8.25 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 174.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -87.26 -8.57 56.64 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.728 0.299 . . . . 0.0 111.023 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.31 15.6 78.87 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 115.564 0.986 . . . . 0.0 115.564 169.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.2 t -127.54 109.71 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 118.706 1.253 . . . . 0.0 111.882 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 56.7 m -107.68 117.27 33.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.342 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -144.21 126.25 15.46 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 t 60.73 69.53 0.68 Allowed 'General case' 0 C--N 1.346 0.418 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 -175.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 97.4 mt -41.07 87.52 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 123.164 1.459 . . . . 0.0 113.792 -141.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -151.62 151.17 31.14 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 111.595 -2.548 . . . . 0.0 104.497 165.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.9 t -59.11 113.53 2.16 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.395 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -70.26 -46.73 63.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.239 -170.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.876 -178.588 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--O 1.233 0.235 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.5 mt 73.49 51.64 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 121.988 0.899 . . . . 0.0 109.867 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -131.4 -147.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.278 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.509 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 11.9 m -79.38 -133.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.731 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.509 ' HB ' ' O ' ' A' ' 5' ' ' SER . 79.1 mt 80.75 138.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-O 121.412 0.625 . . . . 0.0 112.075 173.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.96 159.67 27.58 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.394 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 3.3 t -84.85 139.35 31.96 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.436 0.636 . . . . 0.0 112.364 -174.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.1 mmm -99.92 166.28 11.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.12 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.644 ' H ' HD12 ' A' ' 13' ' ' LEU . 14.2 mm100 -82.94 171.93 13.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.256 0.551 . . . . 0.0 111.31 -177.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -62.13 131.34 49.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.445 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.1 8.54 85.43 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 113.359 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.644 HD12 ' H ' ' A' ' 10' ' ' GLN . 13.5 mt -97.34 155.53 37.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 117.264 0.532 . . . . 0.0 110.595 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 9.6 Cg_exo -69.35 121.89 8.67 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.065 2.51 . . . . 0.0 111.897 -178.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 15.4 p -115.49 144.76 43.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.9 mmt -127.8 12.37 6.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.527 0.68 . . . . 0.0 110.095 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HB3' ' HB2' ' A' ' 20' ' ' ASP . 2.9 tp10 -146.65 137.41 23.99 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.001 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -51.77 -46.08 64.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.958 0.408 . . . . 0.0 111.355 -176.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.3 m -87.21 1.48 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.184 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.634 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 27.3 t70 -61.39 -30.0 70.27 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.53 0.681 . . . . 0.0 109.736 -179.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 60.8 m -98.95 135.59 40.15 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.187 173.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 99.0 m -51.76 -34.33 38.99 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -80.82 -6.04 58.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.83 0.348 . . . . 0.0 111.404 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.64 27.41 73.21 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 114.659 0.623 . . . . 0.0 114.659 171.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.3 t -127.11 109.59 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 117.891 0.846 . . . . 0.0 111.332 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.1 m -106.77 120.95 43.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.12 0.486 . . . . 0.0 111.4 174.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -148.93 139.31 22.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 p 48.89 68.29 0.73 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -175.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.583 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 90.1 mt -40.8 88.47 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 123.238 1.494 . . . . 0.0 113.878 -141.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -151.0 157.6 43.09 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 111.498 -2.592 . . . . 0.0 105.243 168.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.1 m -57.73 104.33 0.18 Allowed 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 173.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.89 -41.48 97.93 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.315 -173.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.909 175.626 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.418 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 51.1 mt 59.8 73.9 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 121.3 0.572 . . . . 0.0 110.816 -176.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -143.41 97.7 3.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.385 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 11.8 t 61.16 -150.57 0.4 Allowed 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.417 ' HB ' ' O ' ' A' ' 5' ' ' SER . 46.1 mm 75.47 130.17 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.295 0.569 . . . . 0.0 112.315 171.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.2 158.89 28.84 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 14.5 p -95.31 145.53 25.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.38 0.609 . . . . 0.0 111.685 -174.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 20' ' ' ASP . 16.9 ptp -108.62 171.26 7.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.761 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.436 ' H ' HD12 ' A' ' 13' ' ' LEU . 15.1 mm-40 -83.55 175.66 9.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.628 -173.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -60.69 135.02 57.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.807 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.0 9.19 84.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.069 -0.586 . . . . 0.0 113.85 174.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 9' ' ' MET . 45.8 mt -98.75 155.77 36.33 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 117.222 0.511 . . . . 0.0 110.141 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 3.5 Cg_exo -72.43 119.71 6.3 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.036 2.491 . . . . 0.0 112.388 -176.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.688 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 29.1 p -112.22 160.64 17.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.375 -174.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.7 mmt -120.03 -25.81 5.7 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 176.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 1.3 pm0 -140.85 173.73 11.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.627 0.251 . . . . 0.0 111.23 175.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -55.27 -47.28 75.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.142 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.402 HG11 HG23 ' A' ' 3' ' ' ILE . 32.2 m -79.54 -7.75 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -172.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 9' ' ' MET . 41.7 t0 -66.53 -26.09 66.98 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 176.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 81.0 m -100.34 136.26 40.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.425 175.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.42 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 82.6 m -65.59 -15.58 62.87 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.448 ' HB2' ' OXT' ' A' ' 33' ' ' TYR . 25.9 m170 -105.51 8.02 33.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.875 0.369 . . . . 0.0 111.157 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.19 -2.54 70.09 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 115.97 1.148 . . . . 0.0 115.97 167.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 t -114.66 110.03 30.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 119.101 1.451 . . . . 0.0 112.537 -175.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.6 t -106.62 116.93 32.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.594 174.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -149.37 134.07 17.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 118.921 -0.561 . . . . 0.0 109.814 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.5 t 56.16 67.78 0.95 Allowed 'General case' 0 C--N 1.345 0.411 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.688 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 85.1 mt -41.21 85.93 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 123.006 1.384 . . . . 0.0 113.481 -137.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -152.78 148.08 26.8 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 111.699 -2.501 . . . . 0.0 105.608 167.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.4 m -60.59 104.33 0.33 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.064 0.459 . . . . 0.0 110.535 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.453 HD23 ' CE2' ' A' ' 33' ' ' TYR . 25.3 tp -60.49 -45.24 94.49 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.045 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.453 ' CE2' HD23 ' A' ' 32' ' ' LEU . 75.6 m-85 . . . . . 0 C--O 1.243 0.711 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.789 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.503 ' HG ' ' HA ' ' A' ' 17' ' ' GLU . 5.7 mp . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 3' ' ' ILE . 33.2 mt 70.5 48.97 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 121.895 0.855 . . . . 0.0 110.751 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -129.35 -101.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.586 172.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -157.36 91.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.73 0.3 . . . . 0.0 111.009 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.422 HD12 ' HB2' ' A' ' 17' ' ' GLU . 42.9 mt -138.36 139.18 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 120.651 0.262 . . . . 0.0 110.534 -178.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.53 159.17 34.36 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.04 0.536 . . . . 0.0 111.799 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 8.7 t -82.4 138.37 34.46 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.641 0.734 . . . . 0.0 112.319 -175.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.5 mmm -107.46 171.11 7.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.009 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.599 ' H ' HD12 ' A' ' 13' ' ' LEU . 16.4 mm100 -89.21 170.01 10.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.059 0.457 . . . . 0.0 111.177 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -59.78 134.04 56.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.965 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.91 -3.1 85.99 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.018 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.599 HD12 ' H ' ' A' ' 10' ' ' GLN . 25.4 mt -95.21 154.2 39.55 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 23.4 Cg_exo -63.34 122.29 10.41 Favored 'Trans proline' 0 C--O 1.229 0.046 0 C-N-CA 122.762 2.308 . . . . 0.0 112.033 -178.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 22.0 p -109.77 152.27 25.9 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.559 ' SD ' HD13 ' A' ' 29' ' ' LEU . 22.6 mmt -131.41 1.79 4.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.883 0.373 . . . . 0.0 111.171 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' HG ' ' A' ' 2' ' ' LEU . 1.0 OUTLIER -151.61 160.18 43.76 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.607 -174.333 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.406 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 44.7 m-70 -62.86 -48.22 79.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.796 0.331 . . . . 0.0 110.273 178.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.476 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 32.6 m -82.53 -0.99 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.043 -178.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.557 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 11.7 t70 -63.51 -30.46 71.58 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 169.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.6 m -99.45 125.81 45.24 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.67 169.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.41 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 81.6 m -55.65 -21.85 19.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.446 175.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -98.37 9.1 43.87 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.6 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.63 -3.05 65.09 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 115.781 1.072 . . . . 0.0 115.781 168.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.3 t -113.6 110.05 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 118.69 1.245 . . . . 0.0 112.705 -175.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.3 t -106.31 113.86 27.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.329 173.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -137.68 141.79 41.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.587 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 p 44.71 67.86 0.64 Allowed 'General case' 0 C--N 1.352 0.695 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.559 HD13 ' SD ' ' A' ' 16' ' ' MET . 88.4 mt -40.51 86.72 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 123.057 1.408 . . . . 0.0 113.533 -137.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -152.18 143.1 23.04 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 111.739 -2.482 . . . . 0.0 105.545 166.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.1 t -57.51 111.85 1.24 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.073 0.463 . . . . 0.0 110.032 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.474 HD12 ' CE2' ' A' ' 33' ' ' TYR . 2.6 tm? -73.09 -47.24 46.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.435 -167.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.474 ' CE2' HD12 ' A' ' 32' ' ' LEU . 67.6 m-85 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.401 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.6 mp -116.9 151.99 35.46 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.421 ' O ' ' HB3' ' A' ' 4' ' ' GLU . 55.6 mt 76.84 154.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 123.587 0.554 . . . . 0.0 111.131 176.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 5' ' ' SER . 42.3 tt0 78.21 139.96 0.07 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.967 0.907 . . . . 0.0 110.418 -177.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 50.8 m 73.98 167.31 0.3 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.168 0.587 . . . . 0.0 110.578 -175.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.9 mt -143.2 85.94 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-O 121.131 0.491 . . . . 0.0 111.303 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 20' ' ' ASP . . . -94.03 160.77 14.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.001 173.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -130.3 112.99 13.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.887 0.851 . . . . 0.0 112.191 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.4 mmm -116.45 143.87 45.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.319 -1.31 . . . . 0.0 108.948 171.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.521 ' H ' HD12 ' A' ' 13' ' ' LEU . 1.0 OUTLIER -71.35 163.63 27.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.349 -175.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -61.75 127.65 32.46 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.744 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.95 1.02 63.42 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.901 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.521 HD12 ' H ' ' A' ' 10' ' ' GLN . 16.4 mt -94.84 154.45 39.82 Favored Pre-proline 0 C--N 1.327 -0.392 0 O-C-N 122.625 -0.338 . . . . 0.0 110.48 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -66.94 123.43 10.98 Favored 'Trans proline' 0 CA--C 1.521 -0.162 0 C-N-CA 122.884 2.389 . . . . 0.0 112.267 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.602 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 13.7 p -131.38 138.57 49.19 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.9 mmt -118.23 -19.89 8.8 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.541 0.686 . . . . 0.0 109.762 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HG2' HG22 ' A' ' 19' ' ' VAL . 41.6 tt0 -107.47 131.09 54.68 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.275 175.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -55.65 -34.48 65.0 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.231 -171.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.461 HG22 ' HG2' ' A' ' 17' ' ' GLU . 28.9 m -88.58 -0.36 7.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.54 -179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.441 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 19.4 t70 -66.3 -18.67 65.49 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.779 0.8 . . . . 0.0 110.238 -176.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -96.51 137.26 35.86 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.902 -1.044 . . . . 0.0 110.043 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -58.39 -25.45 62.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.976 -175.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -93.5 -6.81 45.98 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 111.295 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.87 27.84 68.09 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 114.28 0.472 . . . . 0.0 114.28 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.6 t -126.56 109.0 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 118.031 0.915 . . . . 0.0 111.833 176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.1 m -106.36 127.15 53.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.398 170.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -147.87 128.52 14.19 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 m 57.66 69.42 0.74 Allowed 'General case' 0 C--N 1.343 0.316 0 N-CA-C 107.421 -1.326 . . . . 0.0 107.421 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.602 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 93.5 mt -41.09 88.23 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 123.158 1.456 . . . . 0.0 114.188 -139.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -152.09 149.12 28.46 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 111.588 -2.551 . . . . 0.0 105.603 164.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 69.4 m -57.86 110.32 0.89 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.155 0.502 . . . . 0.0 110.945 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.527 HD12 ' CE2' ' A' ' 33' ' ' TYR . 2.1 tm? -72.65 -44.05 62.4 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.979 -174.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.527 ' CE2' HD12 ' A' ' 32' ' ' LEU . 75.7 m-85 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.049 -0.976 . . . . 0.0 109.428 175.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.423 ' HB3' ' HB2' ' A' ' 18' ' ' HIS . 8.9 mp -112.56 152.27 29.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 178.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.4 mt 68.6 67.33 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 109.982 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -146.24 -55.53 0.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.188 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 p -118.1 125.23 49.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.801 -175.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.4 ' O ' HG22 ' A' ' 6' ' ' ILE . 23.6 mt -98.43 44.73 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-O 121.742 0.782 . . . . 0.0 111.58 -168.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.741 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -94.32 143.08 26.7 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 167.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.485 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 14.1 p -133.82 148.01 51.28 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.199 -1.001 . . . . 0.0 113.349 -171.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 81.3 mmm -100.79 142.94 31.55 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 114.1 -1.409 . . . . 0.0 108.166 172.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -76.91 175.67 9.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.78 0.324 . . . . 0.0 111.794 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -47.52 129.72 13.53 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.869 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.25 9.01 70.71 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 113.992 176.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.435 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 73.6 mt -114.46 152.38 46.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 117.682 0.741 . . . . 0.0 111.309 -179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 15.4 Cg_exo -66.7 132.03 27.59 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.289 2.66 . . . . 0.0 112.472 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 21.8 p -138.5 128.6 25.6 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.452 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -112.26 1.96 16.37 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.527 0.68 . . . . 0.0 110.685 -173.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' OE2' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -126.35 138.45 53.57 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.042 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.423 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 85.3 t60 -49.51 -47.67 48.64 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 -171.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG22 ' OE2' ' A' ' 17' ' ' GLU . 35.6 m -87.93 0.43 7.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.842 -178.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.741 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 28.3 t70 -72.29 -4.47 29.84 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.416 0.626 . . . . 0.0 109.769 179.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 50.3 t -99.08 134.84 41.35 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 170.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.485 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 72.0 m -67.85 -10.26 51.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.693 0.282 . . . . 0.0 111.091 178.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -101.28 -0.97 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.753 173.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.17 -2.4 65.93 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 114.61 0.604 . . . . 0.0 114.61 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.8 t -120.19 108.92 24.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 117.854 0.827 . . . . 0.0 111.564 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 86.2 m -107.41 109.14 20.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.167 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -136.79 130.95 32.68 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.4 m 58.11 68.34 0.85 Allowed 'General case' 0 C--N 1.343 0.313 0 N-CA-C 106.889 -1.523 . . . . 0.0 106.889 -175.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 86.3 mt -41.28 88.48 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 123.015 1.388 . . . . 0.0 113.733 -140.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -152.2 165.14 35.77 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 111.489 -2.596 . . . . 0.0 105.076 166.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 2.9 m -57.69 112.43 1.45 Allowed 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 119.751 -0.78 . . . . 0.0 110.05 169.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.01 -36.56 84.81 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.878 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.364 -0.827 . . . . 0.0 109.856 175.468 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.438 ' HA ' ' HB2' ' A' ' 17' ' ' GLU . 9.3 mp -110.35 138.39 46.8 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 178.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 55.1 mt 62.92 80.45 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 121.19 0.519 . . . . 0.0 110.423 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -135.69 -71.87 0.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.513 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -170.93 53.82 0.03 OUTLIER 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 111.816 -175.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 56.1 mt -124.28 134.93 65.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.691 0.281 . . . . 0.0 110.409 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.21 158.44 19.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 74.0 m -57.74 140.35 51.69 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -173.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.613 ' HG3' ' SG ' ' A' ' 31' ' ' CYS . 8.1 ptp -120.19 165.49 14.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.09 169.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -90.88 171.86 9.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.12 0.486 . . . . 0.0 111.739 -173.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -58.53 129.42 41.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.442 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.91 -3.61 58.78 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.908 -0.663 . . . . 0.0 113.488 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.448 ' HB3' ' SD ' ' A' ' 9' ' ' MET . 11.1 mp -94.07 154.39 40.64 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 117.378 0.589 . . . . 0.0 110.51 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.458 ' O ' ' HE1' ' A' ' 9' ' ' MET . 3.6 Cg_exo -76.42 119.38 5.22 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.06 2.507 . . . . 0.0 112.085 -178.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 29.8 p -106.97 154.72 20.67 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -175.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.2 mmt -120.75 -33.16 3.85 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.405 -0.518 . . . . 0.0 112.048 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.476 ' OE2' HG22 ' A' ' 19' ' ' VAL . 9.2 pt-20 -120.9 170.75 9.19 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.197 177.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -58.45 -47.62 83.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -171.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.476 HG22 ' OE2' ' A' ' 17' ' ' GLU . 18.9 m -87.21 3.11 4.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -174.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.47 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 38.0 t0 -59.23 -34.71 72.53 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.735 0.779 . . . . 0.0 109.308 -177.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 62.4 m -99.06 136.11 39.5 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 172.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -11.58 56.15 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -174.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -83.12 -16.22 47.68 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.508 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.3 15.77 63.76 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.063 -0.589 . . . . 0.0 114.514 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.0 t -126.59 110.35 23.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 118.519 1.159 . . . . 0.0 111.795 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 t -106.26 121.86 45.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.081 -0.508 . . . . 0.0 109.868 174.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -154.34 141.85 19.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 118.948 -0.549 . . . . 0.0 109.778 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.5 m 53.2 66.79 1.13 Allowed 'General case' 0 C--N 1.347 0.496 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.672 HD22 ' H ' ' A' ' 29' ' ' LEU . 3.1 mm? -41.37 86.74 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 122.748 1.261 . . . . 0.0 113.287 -137.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -153.17 154.87 35.6 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 112.169 -2.287 . . . . 0.0 106.054 167.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.613 ' SG ' ' HG3' ' A' ' 9' ' ' MET . 67.1 m -55.68 105.27 0.17 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.074 0.464 . . . . 0.0 110.641 174.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.457 HD12 ' CE2' ' A' ' 33' ' ' TYR . 2.5 tm? -64.72 -40.3 95.1 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.599 -176.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.457 ' CE2' HD12 ' A' ' 32' ' ' LEU . 71.9 m-85 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.169 -0.919 . . . . 0.0 110.025 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 N-CA-C 112.135 -0.386 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 17' ' ' GLU . 5.6 mp -88.18 156.98 18.95 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -178.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.515 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 51.3 mt 61.18 74.25 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 121.439 0.637 . . . . 0.0 110.798 -176.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -150.89 -40.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.892 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 t -126.97 119.22 26.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.169 -177.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.8 mt -94.08 77.36 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.392 0.615 . . . . 0.0 111.577 -171.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.416 ' HB3' ' OD1' ' A' ' 20' ' ' ASP . . . -94.64 159.77 14.93 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 168.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 t -121.56 115.18 22.32 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 119.717 -0.793 . . . . 0.0 111.898 177.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.9 mmm -94.53 151.21 19.52 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.796 -1.093 . . . . 0.0 108.911 172.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.599 ' H ' HD12 ' A' ' 13' ' ' LEU . 15.1 mm100 -73.9 170.36 15.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.602 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -64.42 130.41 43.66 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.14 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.98 3.84 85.04 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.901 -0.666 . . . . 0.0 113.007 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.599 HD12 ' H ' ' A' ' 10' ' ' GLN . 11.5 mt -97.66 155.4 37.25 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 117.145 0.472 . . . . 0.0 110.673 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 15.9 Cg_exo -67.57 121.54 8.64 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.903 2.402 . . . . 0.0 111.854 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 22.2 p -123.58 135.52 54.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.3 mmt -99.33 -15.04 18.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.672 -170.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 13.0 pt-20 -147.02 155.24 42.08 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -49.42 -46.03 47.13 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -172.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.0 m -81.65 -0.75 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -175.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.481 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 23.5 t70 -79.3 -19.01 51.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.943 0.877 . . . . 0.0 109.126 175.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 52.9 t -100.07 132.22 45.56 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.178 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -10.92 19.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 174.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -101.26 -3.09 29.58 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.169 177.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.16 -2.65 50.72 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 114.77 0.668 . . . . 0.0 114.77 173.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.49 108.65 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 117.997 0.899 . . . . 0.0 111.161 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.7 m -108.71 108.99 20.05 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.582 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -139.88 140.51 36.49 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 176.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.6 p 49.71 68.79 0.68 Allowed 'General case' 0 C--N 1.346 0.42 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -173.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 94.0 mt -41.3 89.11 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 123.009 1.385 . . . . 0.0 113.711 -141.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -151.25 161.38 42.82 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 111.631 -2.531 . . . . 0.0 104.843 166.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 8.8 m -57.18 105.97 0.28 Allowed 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 119.817 -0.753 . . . . 0.0 109.531 170.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.63 -42.85 93.64 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.73 -173.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.378 177.522 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -110.8 165.49 11.8 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.411 ' N ' ' HB2' ' A' ' 17' ' ' GLU . 12.5 tt 37.79 86.02 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.18 0.992 . . . . 0.0 113.465 178.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -130.39 -20.61 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.905 177.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.505 ' O ' HG21 ' A' ' 19' ' ' VAL . 13.1 t -137.23 -167.06 2.03 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.0 mt -132.73 33.95 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 122.048 0.927 . . . . 0.0 109.697 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -94.62 150.09 20.59 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.079 174.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.8 p -140.54 148.83 41.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 119.798 -0.761 . . . . 0.0 112.063 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.426 ' HB3' ' HB2' ' A' ' 13' ' ' LEU . 86.4 mmm -103.34 150.81 23.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.232 177.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.578 ' H ' HD12 ' A' ' 13' ' ' LEU . 2.0 mp0 -69.3 170.7 9.77 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.111 -178.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -57.29 125.94 25.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.145 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 86.38 6.17 81.38 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.94 -0.648 . . . . 0.0 113.135 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.578 HD12 ' H ' ' A' ' 10' ' ' GLN . 18.7 mt -98.83 151.44 37.41 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.868 0.334 . . . . 0.0 110.249 178.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.416 ' O ' ' HG3' ' A' ' 9' ' ' MET . 20.4 Cg_exo -64.54 121.5 9.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.993 2.462 . . . . 0.0 111.981 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.511 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 15.9 p -128.67 135.91 49.91 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.7 mmt -110.11 -16.19 13.85 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -170.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.603 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 14.0 pt-20 -127.21 153.33 46.23 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 176.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -50.16 -39.8 44.67 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -170.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 5' ' ' SER . 22.8 m -86.34 -4.63 9.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -175.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.603 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 25.6 t70 -77.72 -0.34 26.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.606 0.717 . . . . 0.0 109.965 -177.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.9 t -100.65 125.38 47.05 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 168.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 72.8 m -63.16 -10.6 15.76 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.681 0.277 . . . . 0.0 111.544 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -109.49 13.33 24.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.004 0.43 . . . . 0.0 110.902 176.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.6 -2.38 78.85 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 115.322 0.889 . . . . 0.0 115.322 167.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 40.3 t -125.41 112.66 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 118.406 1.103 . . . . 0.0 112.077 -176.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.0 m -105.58 114.87 29.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.895 173.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -144.15 134.89 25.01 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.8 m 57.33 67.94 0.91 Allowed 'General case' 0 C--N 1.34 0.19 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.49 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 96.3 mt -40.9 88.48 0.0 OUTLIER 'General case' 0 C--O 1.234 0.253 0 CA-C-O 123.035 1.398 . . . . 0.0 113.736 -140.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -151.25 154.78 37.46 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 111.707 -2.497 . . . . 0.0 105.75 168.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.4 t -61.26 104.08 0.36 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 174.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.61 -47.65 71.98 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.99 -164.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.462 -0.78 . . . . 0.0 110.526 -176.849 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.072 -0.411 . . . . 0.0 112.072 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.522 ' HG ' ' HA ' ' A' ' 17' ' ' GLU . 10.6 mp 70.77 151.21 0.1 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.277 0.631 . . . . 0.0 110.981 -178.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.9 mt 66.22 76.13 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.089 0.471 . . . . 0.0 111.113 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -139.63 -62.15 0.53 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.107 0.48 . . . . 0.0 110.377 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' HG23 ' A' ' 19' ' ' VAL . 32.8 m -114.2 117.77 32.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.31 -177.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 55.7 mt -84.3 83.3 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 121.723 0.773 . . . . 0.0 110.645 -173.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.75 162.58 13.87 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.926 -1.034 . . . . 0.0 110.26 178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.7 t -122.2 136.37 54.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.463 0.649 . . . . 0.0 111.599 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.435 ' SD ' ' HB3' ' A' ' 15' ' ' CYS . 10.4 ptp -143.7 164.43 30.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.864 -1.062 . . . . 0.0 108.698 177.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -99.93 172.69 7.07 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.932 0.396 . . . . 0.0 110.988 -177.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -58.93 131.97 52.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.247 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.78 -4.31 63.36 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.108 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mp -91.21 150.3 41.31 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 30' ' ' PHE . 4.3 Cg_exo -78.91 118.81 4.17 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.729 2.286 . . . . 0.0 111.714 -177.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 14.8 p -110.52 140.1 45.12 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 20.0 mmt -109.84 -14.47 14.29 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.332 -0.547 . . . . 0.0 112.053 -172.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 15.3 pt-20 -140.19 150.74 44.55 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.26 178.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -45.64 -44.87 13.58 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.48 0.487 . . . . 0.0 112.224 -174.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 5' ' ' SER . 29.6 m -87.61 1.02 6.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -175.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.545 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 23.2 t0 -65.94 -21.31 66.42 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.723 0.773 . . . . 0.0 109.766 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.8 m -99.8 135.06 41.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.842 171.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.5 -27.18 69.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.298 0.57 . . . . 0.0 110.692 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -83.95 -3.17 57.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.647 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.76 20.7 77.67 Favored Glycine 0 C--O 1.225 -0.45 0 N-CA-C 115.732 1.053 . . . . 0.0 115.732 168.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.6 t -127.51 109.62 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 118.968 1.384 . . . . 0.0 112.139 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.3 m -108.29 123.32 48.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.542 173.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -148.69 129.31 14.06 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.2 m 58.03 68.13 0.87 Allowed 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 64.8 mt -41.03 87.73 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 123.143 1.449 . . . . 0.0 113.714 -142.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 14' ' ' PRO . 44.4 m-85 -151.77 150.63 30.38 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 111.327 -2.669 . . . . 0.0 104.715 164.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.7 t -58.33 109.04 0.7 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.031 0.444 . . . . 0.0 110.042 -177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.16 -39.51 89.83 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.858 -171.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.767 175.726 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.838 0 N-CA-C 111.896 -0.482 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.9 mt -124.7 137.54 54.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.78 0.29 . . . . 0.0 110.252 179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 51.9 mt 72.72 65.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.629 0.728 . . . . 0.0 110.496 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -139.57 -72.52 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.418 173.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.406 ' O ' HG23 ' A' ' 19' ' ' VAL . 17.1 p -90.73 122.01 33.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.416 -175.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 29.4 mt -103.19 56.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.531 0.682 . . . . 0.0 111.191 -171.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.43 136.4 35.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 172.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 72.3 m -95.77 136.37 36.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.217 0.532 . . . . 0.0 111.842 -176.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.572 ' SD ' ' HB2' ' A' ' 31' ' ' CYS . 5.9 ptp -114.41 163.75 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.162 174.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 pt20 -83.94 165.75 18.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.882 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -62.36 136.66 58.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.206 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.11 -21.39 37.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.744 -0.741 . . . . 0.0 113.212 175.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.54 ' HB2' ' SD ' ' A' ' 9' ' ' MET . 88.0 mt -78.55 152.45 78.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.757 0.279 . . . . 0.0 110.355 -177.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.425 ' O ' ' HE1' ' A' ' 9' ' ' MET . 8.7 Cg_exo -70.0 119.78 6.65 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.546 2.164 . . . . 0.0 111.753 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 20.8 p -112.71 135.57 53.3 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.438 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -127.06 14.37 7.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 122.241 1.02 . . . . 0.0 108.487 175.855 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' HB3' ' HB2' ' A' ' 20' ' ' ASP . 5.1 tp10 -134.28 137.71 44.47 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 113.55 -1.659 . . . . 0.0 107.938 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -67.69 -42.06 82.63 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.102 -172.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 5' ' ' SER . 28.7 m -87.66 2.36 5.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.497 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.487 ' HB2' ' HB3' ' A' ' 17' ' ' GLU . 15.4 t0 -61.9 -26.3 68.08 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.84 0.828 . . . . 0.0 109.747 -178.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.9 m -99.08 135.26 40.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.026 172.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.65 -20.92 65.29 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.92 0.391 . . . . 0.0 111.141 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -84.93 -7.15 59.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.01 24.18 74.45 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 114.646 0.619 . . . . 0.0 114.646 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.8 t -126.21 108.78 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 118.239 1.019 . . . . 0.0 111.973 178.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.7 t -107.7 113.27 26.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 170.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -147.2 135.16 21.35 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.267 -175.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.9 t 55.42 67.78 0.96 Allowed 'General case' 0 C--N 1.346 0.425 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -176.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.558 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 81.0 mt -43.35 86.31 0.0 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-O 122.998 1.38 . . . . 0.0 113.675 -140.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -152.93 147.77 26.35 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 111.652 -2.522 . . . . 0.0 105.122 165.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.572 ' HB2' ' SD ' ' A' ' 9' ' ' MET . 7.3 t -59.15 111.58 1.39 Allowed 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 -177.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.422 HD23 ' CE2' ' A' ' 33' ' ' TYR . 19.9 tp -73.14 -44.42 60.14 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.667 -174.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.422 ' CE2' HD23 ' A' ' 32' ' ' LEU . 80.3 m-85 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.644 -0.693 . . . . 0.0 110.2 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 112.215 -0.354 . . . . 0.0 112.215 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.465 ' HG ' ' HA ' ' A' ' 17' ' ' GLU . 9.2 mp 69.75 154.51 0.12 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.021 0.528 . . . . 0.0 110.977 -179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.436 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 36.2 mm 58.99 81.4 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-O 120.96 0.41 . . . . 0.0 111.308 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -136.27 -44.07 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.1 0.476 . . . . 0.0 110.792 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -135.93 -175.61 4.03 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.619 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.5 mt -125.98 65.83 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.615 0.722 . . . . 0.0 110.126 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.37 160.77 14.67 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.376 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 43.1 t -137.64 153.13 49.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.302 0.572 . . . . 0.0 111.806 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.544 ' SD ' ' HB3' ' A' ' 15' ' ' CYS . 7.6 ptp -144.16 168.92 18.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.118 -177.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -90.2 170.27 10.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.048 175.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -66.65 130.84 44.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.993 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.78 -0.31 48.8 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.978 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 11.1 mp -95.82 152.51 39.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 30' ' ' PHE . 5.6 Cg_exo -77.34 118.73 4.72 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.918 2.412 . . . . 0.0 111.912 -177.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.598 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 18.5 p -119.9 136.09 54.64 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -176.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.18 -33.3 7.87 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.831 -171.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HA ' ' HG ' ' A' ' 2' ' ' LEU . 12.8 pt-20 -106.92 146.55 30.89 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.385 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -45.26 -46.8 12.76 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.34 0.656 . . . . 0.0 112.685 -171.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.3 m -88.39 1.46 6.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -173.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.598 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 11.6 t70 -62.18 -24.36 67.15 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.26 0.552 . . . . 0.0 111.256 -174.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.1 t -100.77 138.85 37.27 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 171.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.0 m -53.02 -21.92 5.12 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -84.82 -13.0 52.41 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.834 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.67 8.78 87.45 Favored Glycine 0 C--O 1.221 -0.696 0 N-CA-C 114.694 0.638 . . . . 0.0 114.694 171.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.2 t -122.82 109.6 24.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 118.465 1.133 . . . . 0.0 111.703 -177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.5 m -107.73 118.44 36.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.397 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -144.31 134.08 23.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m 56.24 68.41 0.86 Allowed 'General case' 0 C--N 1.343 0.298 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.443 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 84.6 mt -40.95 88.31 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 122.838 1.304 . . . . 0.0 113.74 -140.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.434 ' HA ' ' HA ' ' A' ' 14' ' ' PRO . 57.8 m-85 -151.66 153.84 35.21 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 111.665 -2.516 . . . . 0.0 105.023 166.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.0 t -59.56 113.48 2.24 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.381 176.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -70.47 -38.18 74.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.099 -171.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 . . . . . 0 C--O 1.244 0.78 0 CA-C-O 118.606 -0.712 . . . . 0.0 111.145 -178.904 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 112.084 -0.406 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 17' ' ' GLU . 52.9 mt 70.4 129.37 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.487 0.715 . . . . 0.0 110.389 -177.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.523 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 64.3 mt 67.66 90.22 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-O 121.344 0.592 . . . . 0.0 111.415 -177.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -142.01 -44.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.095 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -149.05 138.58 21.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.146 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 63.8 mt -88.4 82.14 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.657 0.741 . . . . 0.0 111.226 -171.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.4 160.1 15.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.426 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.85 113.3 17.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.572 0.701 . . . . 0.0 111.552 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.481 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 91.0 mmm -109.52 144.33 37.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.209 174.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' A' ' 13' ' ' LEU . 0.5 OUTLIER -73.75 164.24 26.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.394 -177.488 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -61.05 129.34 40.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.216 -176.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.55 -2.45 70.45 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.915 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 10' ' ' GLN . 10.0 mp -93.82 154.72 40.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 122.642 -0.328 . . . . 0.0 110.452 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -66.83 121.62 8.85 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.909 2.406 . . . . 0.0 112.231 -177.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.601 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 13.1 p -118.57 148.53 42.56 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 177.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.7 mmt -123.52 -2.8 8.39 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.349 -0.54 . . . . 0.0 112.044 -175.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.523 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 10.2 pt-20 -149.59 153.15 36.64 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 175.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -46.51 -46.97 19.51 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -172.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.3 m -88.26 -0.19 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -174.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 31.9 t70 -64.38 -19.11 65.28 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.776 0.798 . . . . 0.0 110.492 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 71.7 m -98.69 136.43 38.76 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.642 173.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -55.09 -28.86 55.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.098 -176.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.5 m80 -100.19 5.45 44.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.976 0.417 . . . . 0.0 111.105 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.63 31.17 77.75 Favored Glycine 0 C--O 1.225 -0.421 0 N-CA-C 115.561 0.984 . . . . 0.0 115.561 170.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.5 t -127.46 109.62 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 118.624 1.212 . . . . 0.0 111.887 174.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.8 m -106.8 114.82 29.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.247 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -140.45 121.5 14.67 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.4 t 60.33 70.03 0.65 Allowed 'General case' 0 C--N 1.345 0.408 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -175.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.601 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 89.6 mt -40.11 87.75 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 122.996 1.379 . . . . 0.0 113.796 -142.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -151.64 150.33 30.15 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 111.693 -2.503 . . . . 0.0 105.071 165.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 9' ' ' MET . 64.1 m -61.12 105.3 0.47 Allowed 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 121.222 0.534 . . . . 0.0 111.283 179.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.517 HD12 ' CE2' ' A' ' 33' ' ' TYR . 2.3 tm? -67.28 -45.9 75.22 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.673 -176.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.517 ' CE2' HD12 ' A' ' 32' ' ' LEU . 85.6 m-85 . . . . . 0 C--O 1.243 0.717 0 CA-C-O 118.853 -0.594 . . . . 0.0 109.684 176.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 17' ' ' GLU . 1.8 mm? -111.11 175.59 5.36 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 52.2 mt 54.77 82.86 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 O-C-N 123.672 0.608 . . . . 0.0 112.185 175.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -132.61 -70.99 0.54 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.881 175.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 44.1 p -176.71 118.7 0.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.661 -176.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' A' ' 5' ' ' SER . 17.1 tt -179.36 158.72 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 120.632 0.254 . . . . 0.0 110.571 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.43 145.79 31.78 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.425 ' HB2' ' CA ' ' A' ' 22' ' ' CYS . 28.1 p -82.18 140.88 33.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.358 0.599 . . . . 0.0 111.619 -173.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 95.6 mmm -89.59 155.65 19.12 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.828 176.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.652 ' H ' HD12 ' A' ' 13' ' ' LEU . 23.4 mt-30 -76.15 175.26 9.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.459 -178.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -62.51 130.96 47.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.616 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.91 9.67 84.09 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.94 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.652 HD12 ' H ' ' A' ' 10' ' ' GLN . 16.2 mt -105.49 155.91 37.24 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.869 0.334 . . . . 0.0 110.566 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 9' ' ' MET . 14.3 Cg_exo -67.75 130.68 22.45 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 123.173 2.582 . . . . 0.0 112.131 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.56 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 14.6 p -138.67 128.44 25.0 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 175.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.468 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -107.43 -31.19 8.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.894 0.378 . . . . 0.0 110.89 -174.23 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.462 ' HA ' HD12 ' A' ' 2' ' ' LEU . 38.1 tt0 -98.32 143.04 29.22 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.46 ' H ' ' HB3' ' A' ' 2' ' ' LEU . 67.0 t60 -49.9 -44.59 50.15 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.108 0.413 . . . . 0.0 112.113 -172.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 m -84.21 -0.9 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.794 -177.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.484 ' OD2' ' HA ' ' A' ' 15' ' ' CYS . 35.4 t0 -72.81 -13.5 61.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.741 0.782 . . . . 0.0 109.158 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.56 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 49.6 t -98.57 130.47 45.12 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.753 174.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.425 ' CA ' ' HB2' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -75.8 -9.32 58.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.0 0.428 . . . . 0.0 110.448 178.112 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -97.63 1.91 49.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.013 0.435 . . . . 0.0 110.397 174.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.84 -2.5 68.49 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 114.964 0.746 . . . . 0.0 114.964 170.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.0 t -126.39 110.7 24.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 118.279 1.039 . . . . 0.0 111.811 -176.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.4 m -105.89 107.67 18.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.199 176.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -143.7 138.67 29.05 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 p 49.6 68.95 0.65 Allowed 'General case' 0 C--N 1.348 0.505 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -171.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.474 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 83.9 mt -43.22 88.16 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 123.013 1.387 . . . . 0.0 114.072 -140.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -151.92 164.61 36.76 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 111.786 -2.461 . . . . 0.0 105.544 167.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 4.0 m -59.85 106.38 0.48 Allowed 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.517 168.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.5 tp -60.83 -45.01 96.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.572 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 . . . . . 0 C--O 1.251 1.156 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.927 177.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.882 -0.487 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.0 mp -102.13 148.13 25.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.6 mt 66.92 71.06 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 121.67 0.748 . . . . 0.0 109.89 -177.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 80.6 mm-40 -113.91 -80.96 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.807 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 t -179.49 31.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.568 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.451 HD12 ' HG2' ' A' ' 17' ' ' GLU . 93.8 mt -93.46 144.52 9.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.821 -176.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.79 159.29 30.24 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.365 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.701 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 5.5 t -76.06 139.64 41.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.378 0.609 . . . . 0.0 112.552 -175.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 96.0 mmm -100.94 163.59 12.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.114 175.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.574 ' H ' HD12 ' A' ' 13' ' ' LEU . 16.4 mm100 -75.54 172.03 13.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.999 0.428 . . . . 0.0 110.93 178.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -62.84 127.74 32.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.069 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.02 9.41 84.33 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.88 -0.6 . . . . 0.0 113.502 178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.574 HD12 ' H ' ' A' ' 10' ' ' GLN . 11.2 mt -96.37 158.05 34.49 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 117.344 0.572 . . . . 0.0 110.635 -178.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.36 127.52 21.2 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.087 2.525 . . . . 0.0 112.485 -179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.703 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 31.1 p -120.23 148.7 43.34 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 177.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -118.14 -33.03 4.54 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.429 178.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.647 ' OE1' HG22 ' A' ' 19' ' ' VAL . 3.3 pt-20 -116.36 179.46 3.99 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.192 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -69.06 -47.73 64.58 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.527 0.195 . . . . 0.0 111.527 -173.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.647 HG22 ' OE1' ' A' ' 17' ' ' GLU . 4.9 m -84.53 2.44 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 111.273 -175.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.701 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 7.3 t0 -60.27 -32.16 70.9 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.211 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 83.9 m -100.83 137.03 39.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.013 173.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.402 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 79.4 m -51.94 -35.9 47.45 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 177.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -85.91 3.09 43.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 0.0 111.228 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.48 -2.49 72.0 Favored Glycine 0 C--O 1.223 -0.587 0 N-CA-C 115.546 0.979 . . . . 0.0 115.546 168.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.7 t -110.23 110.04 30.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 118.932 1.366 . . . . 0.0 112.5 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.1 t -105.89 118.32 36.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.083 175.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -148.07 134.11 19.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 118.952 -0.547 . . . . 0.0 109.884 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.6 m 55.01 68.13 0.91 Allowed 'General case' 0 C--N 1.347 0.473 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.703 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 61.7 mt -41.34 86.47 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 123.065 1.412 . . . . 0.0 113.944 -137.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -152.71 150.94 29.97 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 111.567 -2.561 . . . . 0.0 105.641 166.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.5 m -53.5 112.44 0.9 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 118.318 0.508 . . . . 0.0 110.822 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.43 -44.04 72.11 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.235 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.511 -0.757 . . . . 0.0 109.593 174.579 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.4 mp -123.96 126.03 45.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.798 0.299 . . . . 0.0 110.339 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.1 mt 72.29 56.06 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-O 121.569 0.699 . . . . 0.0 110.239 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -119.3 -91.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.775 173.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.484 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 14.8 t -175.73 138.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.351 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.484 ' HB ' ' O ' ' A' ' 5' ' ' SER . 15.4 tt 174.59 169.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.3 153.93 42.76 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.47 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 19.4 p -111.56 147.73 34.78 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.812 0.815 . . . . 0.0 112.436 -172.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.1 mmm -97.42 163.13 13.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.033 -178.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.614 ' H ' HD12 ' A' ' 13' ' ' LEU . 74.3 mt-30 -78.8 175.62 10.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.684 -178.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.53 ' HG3' ' OXT' ' A' ' 33' ' ' TYR . 25.0 ttmm -57.44 129.64 42.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.508 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.5 7.81 87.02 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.684 -0.689 . . . . 0.0 113.892 176.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.614 HD12 ' H ' ' A' ' 10' ' ' GLN . 14.6 mt -93.75 154.75 40.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 117.636 0.718 . . . . 0.0 110.533 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -64.85 130.68 26.73 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.208 2.605 . . . . 0.0 112.345 -178.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.6 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 13.9 p -135.97 142.69 44.58 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.059 -0.256 . . . . 0.0 110.439 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.425 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.4 OUTLIER -124.33 10.92 8.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.769 0.795 . . . . 0.0 109.425 175.311 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' CD ' HG22 ' A' ' 19' ' ' VAL . 2.0 tp10 -146.06 133.7 21.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.629 -1.168 . . . . 0.0 108.561 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -53.66 -48.04 69.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 118.006 0.366 . . . . 0.0 111.76 -175.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.45 HG22 ' CD ' ' A' ' 17' ' ' GLU . 22.0 m -80.24 -0.87 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.129 0.49 . . . . 0.0 111.115 -177.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.469 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 7.5 t70 -69.9 -19.62 63.41 Favored 'General case' 0 C--O 1.214 -0.768 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 173.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 94.2 m -101.12 137.35 39.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.92 171.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.47 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 58.0 m -64.96 -15.41 62.15 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -97.78 -6.05 33.56 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.572 174.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.95 5.84 88.81 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.841 0.696 . . . . 0.0 114.841 173.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.4 t -115.64 110.83 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 118.205 1.003 . . . . 0.0 112.178 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.1 m -106.46 123.12 47.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.221 173.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -149.56 130.87 14.64 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 175.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m 58.38 68.36 0.84 Allowed 'General case' 0 C--N 1.342 0.276 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -176.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.6 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 84.5 mt -40.31 87.95 0.0 OUTLIER 'General case' 0 C--O 1.234 0.241 0 CA-C-O 123.139 1.447 . . . . 0.0 113.805 -141.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -151.91 158.48 43.24 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 111.482 -2.599 . . . . 0.0 105.68 166.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 79.1 m -59.84 105.09 0.35 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.083 0.468 . . . . 0.0 110.328 173.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.459 HD12 ' CE2' ' A' ' 33' ' ' TYR . 3.1 tm? -63.27 -45.99 88.9 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.916 -175.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.53 ' OXT' ' HG3' ' A' ' 11' ' ' LYS . 81.4 m-85 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.865 176.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 17' ' ' GLU . . . . . . . . 0 N--CA 1.484 1.851 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.504 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 7.0 mp -78.99 149.43 32.24 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 36.0 mt 64.83 65.72 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -171.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -137.26 -75.89 0.41 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.291 -174.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.501 ' H ' ' HG3' ' A' ' 17' ' ' GLU . 10.4 m -82.49 154.23 25.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.749 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.0 mm -111.88 -11.93 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.359 0.6 . . . . 0.0 110.49 -177.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.472 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -75.26 142.71 43.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 176.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.52 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 14.4 p -119.8 141.19 49.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.913 0.863 . . . . 0.0 112.669 -171.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.2 mmm -94.94 158.62 15.39 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.164 -1.38 . . . . 0.0 108.924 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.614 ' H ' HD12 ' A' ' 13' ' ' LEU . 1.5 mp0 -73.54 175.22 7.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.315 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -62.09 134.79 57.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.308 178.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.46 9.69 84.49 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.915 -0.66 . . . . 0.0 113.014 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.614 HD12 ' H ' ' A' ' 10' ' ' GLN . 16.1 mt -104.62 158.06 32.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 122.556 -0.379 . . . . 0.0 110.505 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -64.66 124.54 13.38 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.73 2.286 . . . . 0.0 111.611 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.479 ' HA ' ' OD2' ' A' ' 20' ' ' ASP . 15.4 p -136.67 130.57 32.35 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.2 mmt -104.78 -17.53 14.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.037 0.446 . . . . 0.0 111.066 -171.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.568 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 1.3 pm0 -131.65 152.01 51.18 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.718 173.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -46.95 -46.41 21.46 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -171.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.0 t -78.15 -9.21 12.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.203 0.525 . . . . 0.0 111.441 -174.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.568 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 21.9 t70 -73.81 -10.36 59.59 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.55 -179.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -101.65 137.98 39.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 164.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.52 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 57.8 m -64.64 -12.25 43.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.515 177.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -99.37 -6.72 27.32 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.74 0.305 . . . . 0.0 110.958 176.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.24 -2.68 88.06 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 115.479 0.951 . . . . 0.0 115.479 169.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.5 t -117.9 108.73 25.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 118.688 1.244 . . . . 0.0 111.829 -175.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 87.7 m -109.6 125.93 53.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.496 175.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -153.53 143.46 22.03 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 175.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.0 p 48.81 68.12 0.75 Allowed 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -173.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.6 mt -42.99 88.38 0.0 OUTLIER 'General case' 0 C--O 1.231 0.093 0 CA-C-O 123.366 1.555 . . . . 0.0 114.401 -139.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -150.76 161.51 42.5 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 110.999 -2.819 . . . . 0.0 103.402 162.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -61.99 119.86 9.68 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 118.676 -1.21 . . . . 0.0 109.812 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.52 -36.88 81.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.963 -172.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.423 -0.798 . . . . 0.0 110.458 177.82 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 112.257 -0.337 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 17' ' ' GLU . 54.6 mt -65.1 124.18 21.45 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 122.192 0.197 . . . . 0.0 110.714 -177.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.5 mt 64.88 67.65 0.11 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.578 0.704 . . . . 0.0 110.103 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -143.79 -41.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.258 -175.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 p -144.37 -172.39 3.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.103 -174.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 45.6 mt -134.45 68.35 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.552 0.691 . . . . 0.0 111.329 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.516 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -95.34 161.29 14.15 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 172.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 36.4 t -135.04 129.19 33.68 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.855 0.836 . . . . 0.0 112.883 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 90.4 mmm -111.18 162.56 14.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.103 -1.408 . . . . 0.0 109.247 174.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.679 ' H ' HD12 ' A' ' 13' ' ' LEU . 15.5 mm100 -91.88 175.37 6.91 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.527 -178.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 33' ' ' TYR . 24.3 ttmm -55.99 125.63 22.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.291 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.26 9.12 80.37 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.887 -0.597 . . . . 0.0 113.837 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.679 HD12 ' H ' ' A' ' 10' ' ' GLN . 10.1 mt -97.63 155.39 37.28 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 117.535 0.667 . . . . 0.0 110.87 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 13.8 Cg_exo -68.6 124.8 11.96 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.173 2.582 . . . . 0.0 111.876 179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.596 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 15.2 p -129.94 135.95 48.92 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 -179.177 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -122.64 7.15 9.44 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.44 0.638 . . . . 0.0 110.484 -177.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -129.56 136.1 49.4 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.473 176.697 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -51.03 -46.79 61.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 118.143 0.429 . . . . 0.0 111.582 -172.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 m -88.31 2.04 6.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.183 -178.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.634 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 36.2 t70 -62.06 -19.93 63.44 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 121.358 0.599 . . . . 0.0 110.123 -175.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.7 m -99.86 128.71 45.93 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 167.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.1 m -50.69 -27.66 7.48 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 177.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -75.63 -16.43 60.21 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.702 0.286 . . . . 0.0 111.101 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.0 12.62 76.46 Favored Glycine 0 C--O 1.227 -0.313 0 N-CA-C 115.06 0.784 . . . . 0.0 115.06 170.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 t -127.08 109.28 20.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 118.411 1.105 . . . . 0.0 112.058 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.9 m -107.36 123.63 48.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.417 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -149.43 134.79 18.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 177.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m 56.84 67.99 0.92 Allowed 'General case' 0 C--N 1.343 0.284 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -177.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.596 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 75.0 mt -41.48 87.49 0.0 OUTLIER 'General case' 0 C--O 1.234 0.257 0 CA-C-O 122.97 1.367 . . . . 0.0 113.7 -140.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -152.17 158.77 43.37 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 111.497 -2.592 . . . . 0.0 105.023 167.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.8 m -57.36 106.07 0.3 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 118.44 0.564 . . . . 0.0 110.046 173.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.86 -42.61 94.06 Favored 'General case' 0 C--O 1.23 0.064 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.025 -175.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.44 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 65.4 m-85 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.694 174.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 17' ' ' GLU . 2.0 mm? 57.83 -156.53 0.31 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 122.523 0.329 . . . . 0.0 110.332 -178.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.536 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 26.2 mm 58.97 87.2 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 O-C-N 123.336 0.398 . . . . 0.0 111.48 176.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.56 -61.11 0.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.891 0.377 . . . . 0.0 110.944 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 p -68.53 173.0 5.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.991 -174.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.451 ' N ' HD13 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -133.18 15.13 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.695 0.76 . . . . 0.0 109.644 175.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.28 160.44 14.82 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.382 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.577 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 8.8 t -128.62 123.08 32.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.627 0.727 . . . . 0.0 112.575 -177.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.526 ' SD ' HD23 ' A' ' 13' ' ' LEU . 18.9 mmt -95.17 154.01 17.39 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.991 171.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.512 ' H ' HD22 ' A' ' 13' ' ' LEU . 16.5 mm100 -98.23 176.21 5.8 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.158 175.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -54.02 128.26 29.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.033 0.444 . . . . 0.0 111.792 -175.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.68 -2.25 82.28 Favored Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.369 176.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.526 HD23 ' SD ' ' A' ' 9' ' ' MET . 11.1 mp -93.75 152.92 41.07 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.917 0.359 . . . . 0.0 110.485 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 12.7 Cg_exo -68.73 120.75 7.65 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.871 2.381 . . . . 0.0 112.021 -178.274 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 12.4 p -130.36 141.11 50.58 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.7 mmt -104.2 -35.86 7.87 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.287 -0.565 . . . . 0.0 111.209 -172.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 1.2 pm0 -128.47 153.34 47.25 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.873 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 -45.26 -44.37 11.23 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -173.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.9 m -76.85 -2.03 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -173.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.577 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 6.2 t70 -79.4 -17.59 54.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.731 0.777 . . . . 0.0 109.076 177.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.3 m -101.26 134.25 44.6 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.08 174.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 64.5 m -57.14 -30.45 64.44 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.732 0.301 . . . . 0.0 111.023 171.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -87.93 3.47 48.45 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.573 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.34 -2.09 22.98 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 115.731 1.053 . . . . 0.0 115.731 170.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 37.6 t -116.89 109.75 28.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 118.701 1.25 . . . . 0.0 112.383 -175.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 38.3 m -108.1 125.44 51.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.35 171.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -154.36 133.72 12.64 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t 57.62 68.2 0.87 Allowed 'General case' 0 C--N 1.343 0.316 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -175.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 80.1 mt -42.76 87.56 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 123.152 1.453 . . . . 0.0 113.889 -142.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -152.14 153.82 34.63 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 111.591 -2.549 . . . . 0.0 104.463 164.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.27 110.67 1.0 Allowed 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.368 -0.533 . . . . 0.0 109.601 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.35 -46.79 72.34 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.572 -167.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.257 179.639 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 2' ' ' LEU . 5.5 mp -85.03 155.4 21.56 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.8 mt 68.98 66.61 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.799 0.809 . . . . 0.0 109.907 -175.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -133.58 -69.75 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.289 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 p -90.32 167.54 12.58 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.225 -177.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' O ' HG22 ' A' ' 6' ' ' ILE . 22.1 mm -123.55 38.56 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.86 0.838 . . . . 0.0 110.886 -176.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.625 ' O ' ' HA ' ' A' ' 20' ' ' ASP . . . -94.64 156.85 16.23 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 171.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.427 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 13.3 p -148.32 145.1 27.99 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.596 -0.842 . . . . 0.0 112.233 178.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.43 ' HG3' ' O ' ' A' ' 14' ' ' PRO . 87.5 mmm -100.29 157.79 16.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.689 -1.141 . . . . 0.0 109.944 179.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.617 ' H ' HD12 ' A' ' 13' ' ' LEU . 16.2 mm100 -79.52 177.28 8.98 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.847 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -53.44 130.85 36.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.374 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.82 4.95 90.17 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.971 -0.633 . . . . 0.0 113.17 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.617 HD12 ' H ' ' A' ' 10' ' ' GLN . 12.0 mt -100.33 153.55 37.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 117.178 0.489 . . . . 0.0 110.847 -176.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.43 ' O ' ' HG3' ' A' ' 9' ' ' MET . 14.5 Cg_exo -68.36 129.11 18.49 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.314 2.676 . . . . 0.0 112.346 -178.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 14.5 p -141.22 131.78 25.45 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.512 ' HG3' HD13 ' A' ' 29' ' ' LEU . 0.8 OUTLIER -114.35 -31.4 6.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.317 0.579 . . . . 0.0 110.047 -177.042 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' HB3' ' HB2' ' A' ' 20' ' ' ASP . 1.4 tp10 -83.57 136.35 34.28 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.417 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 86.4 t60 -50.03 -47.83 53.04 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -171.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -87.48 -0.42 7.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.133 -176.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.625 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 23.5 t70 -70.03 -5.02 23.68 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 121.328 0.585 . . . . 0.0 109.913 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.419 ' HB2' ' SG ' ' A' ' 15' ' ' CYS . 53.3 t -99.41 130.11 45.65 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 167.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.427 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 69.3 m -65.8 -10.7 40.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.7 0.286 . . . . 0.0 111.03 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -104.56 5.97 34.26 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.757 0.313 . . . . 0.0 110.829 176.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.91 -2.46 74.57 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 115.469 0.947 . . . . 0.0 115.469 167.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.9 t -124.04 110.49 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 118.533 1.167 . . . . 0.0 111.877 -176.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 64.0 m -106.43 109.05 20.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.422 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -142.64 147.16 35.32 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 177.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 p 48.66 66.76 0.99 Allowed 'General case' 0 C--N 1.346 0.441 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -173.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.512 HD13 ' HG3' ' A' ' 16' ' ' MET . 80.5 mt -42.92 87.89 0.0 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-O 123.257 1.503 . . . . 0.0 113.631 -138.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -152.3 169.61 22.08 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 111.259 -2.701 . . . . 0.0 105.098 168.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.8 m -56.67 108.63 0.51 Allowed 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 119.615 -0.834 . . . . 0.0 109.446 166.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.98 -45.17 94.8 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.849 -178.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 . . . . . 0 C--N 1.317 -0.82 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.121 174.511 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.783 -0.527 . . . . 0.0 111.783 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.434 ' HA ' ' HB2' ' A' ' 17' ' ' GLU . 9.9 mp -81.64 143.68 31.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.765 0.282 . . . . 0.0 110.701 -177.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.441 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 45.0 mt 58.84 79.55 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 121.371 0.605 . . . . 0.0 110.995 -178.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -135.68 -50.4 0.72 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.613 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 t -125.88 -172.92 2.71 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 -178.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 38.2 mt -131.75 65.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.558 0.694 . . . . 0.0 110.832 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.13 160.66 14.6 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.283 172.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 18.2 t -132.49 119.31 20.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.597 0.713 . . . . 0.0 112.638 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 89.8 mmm -101.7 158.07 16.37 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.535 -1.211 . . . . 0.0 108.51 170.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.545 ' H ' HD22 ' A' ' 13' ' ' LEU . 16.0 mm100 -89.38 175.86 7.15 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.59 0.233 . . . . 0.0 111.054 -178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -56.06 130.02 42.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.419 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.74 0.91 90.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.98 -0.628 . . . . 0.0 113.339 176.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.545 HD22 ' H ' ' A' ' 10' ' ' GLN . 10.4 mp -94.86 152.52 39.74 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.906 0.353 . . . . 0.0 110.311 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 23.6 Cg_exo -63.17 121.0 8.69 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.81 2.34 . . . . 0.0 112.155 -177.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 20' ' ' ASP . 17.0 p -128.46 135.58 49.66 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 23.5 mmt -107.04 -18.5 13.89 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.536 -0.465 . . . . 0.0 112.088 -170.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.489 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 13.6 pt-20 -130.19 151.88 50.23 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.285 177.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -45.5 -46.42 13.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.74 0.65 . . . . 0.0 112.712 -172.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.4 m -88.05 -1.06 8.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 112.727 0.639 . . . . 0.0 112.727 -173.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.54 ' HB3' ' HB2' ' A' ' 15' ' ' CYS . 21.2 t70 -63.82 -20.64 65.95 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.194 0.521 . . . . 0.0 111.207 -174.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -100.67 138.06 38.23 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 170.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.6 m -52.6 -24.39 8.25 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 174.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -87.26 -8.57 56.64 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.728 0.299 . . . . 0.0 111.023 -179.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.31 15.6 78.87 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 115.564 0.986 . . . . 0.0 115.564 169.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.2 t -127.54 109.71 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 118.706 1.253 . . . . 0.0 111.882 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 56.7 m -107.68 117.27 33.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.342 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -144.21 126.25 15.46 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 t 60.73 69.53 0.68 Allowed 'General case' 0 C--N 1.346 0.418 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 -175.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.473 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 97.4 mt -41.07 87.52 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 123.164 1.459 . . . . 0.0 113.792 -141.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -151.62 151.17 31.14 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 111.595 -2.548 . . . . 0.0 104.497 165.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.9 t -59.11 113.53 2.16 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.395 177.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -70.26 -46.73 63.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.239 -170.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.876 -178.588 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.461 ' C ' HD12 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.483 1.767 0 N-CA-C 112.315 -0.314 . . . . 0.0 112.315 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.461 HD12 ' C ' ' A' ' 1' ' ' GLY . 7.7 mp -131.74 140.88 49.38 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 177.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.5 mt 73.49 51.64 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 121.988 0.899 . . . . 0.0 109.867 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -131.4 -147.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.278 177.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.509 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 11.9 m -79.38 -133.27 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.731 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.509 ' HB ' ' O ' ' A' ' 5' ' ' SER . 79.1 mt 80.75 138.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-O 121.412 0.625 . . . . 0.0 112.075 173.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.96 159.67 27.58 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.394 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 3.3 t -84.85 139.35 31.96 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.436 0.636 . . . . 0.0 112.364 -174.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 94.1 mmm -99.92 166.28 11.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.12 177.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.644 ' H ' HD12 ' A' ' 13' ' ' LEU . 14.2 mm100 -82.94 171.93 13.34 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.256 0.551 . . . . 0.0 111.31 -177.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -62.13 131.34 49.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.445 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.1 8.54 85.43 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 113.359 178.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.644 HD12 ' H ' ' A' ' 10' ' ' GLN . 13.5 mt -97.34 155.53 37.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 117.264 0.532 . . . . 0.0 110.595 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 9.6 Cg_exo -69.35 121.89 8.67 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.065 2.51 . . . . 0.0 111.897 -178.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.583 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 15.4 p -115.49 144.76 43.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 21.9 mmt -127.8 12.37 6.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.527 0.68 . . . . 0.0 110.095 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.48 ' HB3' ' HB2' ' A' ' 20' ' ' ASP . 2.9 tp10 -146.65 137.41 23.99 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.001 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -51.77 -46.08 64.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.958 0.408 . . . . 0.0 111.355 -176.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.3 m -87.21 1.48 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.184 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.634 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 27.3 t70 -61.39 -30.0 70.27 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.53 0.681 . . . . 0.0 109.736 -179.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 60.8 m -98.95 135.59 40.15 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.187 173.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.441 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 99.0 m -51.76 -34.33 38.99 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -80.82 -6.04 58.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.83 0.348 . . . . 0.0 111.404 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.64 27.41 73.21 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 114.659 0.623 . . . . 0.0 114.659 171.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.3 t -127.11 109.59 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 117.891 0.846 . . . . 0.0 111.332 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.1 m -106.77 120.95 43.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.12 0.486 . . . . 0.0 111.4 174.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -148.93 139.31 22.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 176.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 p 48.89 68.29 0.73 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 -175.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.583 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 90.1 mt -40.8 88.47 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 123.238 1.494 . . . . 0.0 113.878 -141.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -151.0 157.6 43.09 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 111.498 -2.592 . . . . 0.0 105.243 168.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.1 m -57.73 104.33 0.18 Allowed 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 173.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -61.89 -41.48 97.93 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.315 -173.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.332 -0.842 . . . . 0.0 109.909 175.626 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.4 mt -124.09 -171.53 2.35 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.418 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 51.1 mt 59.8 73.9 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-O 121.3 0.572 . . . . 0.0 110.816 -176.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -143.41 97.7 3.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.385 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 11.8 t 61.16 -150.57 0.4 Allowed 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.417 ' HB ' ' O ' ' A' ' 5' ' ' SER . 46.1 mm 75.47 130.17 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.295 0.569 . . . . 0.0 112.315 171.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.2 158.89 28.84 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 174.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 22' ' ' CYS . 14.5 p -95.31 145.53 25.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.38 0.609 . . . . 0.0 111.685 -174.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 20' ' ' ASP . 16.9 ptp -108.62 171.26 7.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.761 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.436 ' H ' HD12 ' A' ' 13' ' ' LEU . 15.1 mm-40 -83.55 175.66 9.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.628 -173.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -60.69 135.02 57.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.807 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 83.0 9.19 84.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.069 -0.586 . . . . 0.0 113.85 174.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.44 HD12 ' HB2' ' A' ' 9' ' ' MET . 45.8 mt -98.75 155.77 36.33 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 117.222 0.511 . . . . 0.0 110.141 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 3.5 Cg_exo -72.43 119.71 6.3 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.036 2.491 . . . . 0.0 112.388 -176.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.688 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 29.1 p -112.22 160.64 17.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.375 -174.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 19.7 mmt -120.03 -25.81 5.7 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 176.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HB2' ' H ' ' A' ' 3' ' ' ILE . 1.3 pm0 -140.85 173.73 11.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.627 0.251 . . . . 0.0 111.23 175.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -55.27 -47.28 75.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.142 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.402 HG11 HG23 ' A' ' 3' ' ' ILE . 32.2 m -79.54 -7.75 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -172.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.455 ' O ' ' HG2' ' A' ' 9' ' ' MET . 41.7 t0 -66.53 -26.09 66.98 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 176.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 81.0 m -100.34 136.26 40.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.425 175.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.42 ' N ' ' HB2' ' A' ' 8' ' ' CYS . 82.6 m -65.59 -15.58 62.87 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.448 ' HB2' ' OXT' ' A' ' 33' ' ' TYR . 25.9 m170 -105.51 8.02 33.22 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.875 0.369 . . . . 0.0 111.157 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.19 -2.54 70.09 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 115.97 1.148 . . . . 0.0 115.97 167.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 t -114.66 110.03 30.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 119.101 1.451 . . . . 0.0 112.537 -175.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.6 t -106.62 116.93 32.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.594 174.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -149.37 134.07 17.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 118.921 -0.561 . . . . 0.0 109.814 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.5 t 56.16 67.78 0.95 Allowed 'General case' 0 C--N 1.345 0.411 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.688 ' HB3' ' O ' ' A' ' 15' ' ' CYS . 85.1 mt -41.21 85.93 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 123.006 1.384 . . . . 0.0 113.481 -137.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -152.78 148.08 26.8 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 111.699 -2.501 . . . . 0.0 105.608 167.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.4 m -60.59 104.33 0.33 Allowed 'General case' 0 C--N 1.314 -0.951 0 CA-C-O 121.064 0.459 . . . . 0.0 110.535 178.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.453 HD23 ' CE2' ' A' ' 33' ' ' TYR . 25.3 tp -60.49 -45.24 94.49 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.045 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.453 ' CE2' HD23 ' A' ' 32' ' ' LEU . 75.6 m-85 . . . . . 0 C--O 1.243 0.711 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.789 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.774 -0.53 . . . . 0.0 111.774 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.503 ' HG ' ' HA ' ' A' ' 17' ' ' GLU . 5.7 mp -95.76 153.73 17.59 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 3' ' ' ILE . 33.2 mt 70.5 48.97 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-O 121.895 0.855 . . . . 0.0 110.751 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -129.35 -101.37 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.586 172.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -157.36 91.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.73 0.3 . . . . 0.0 111.009 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.422 HD12 ' HB2' ' A' ' 17' ' ' GLU . 42.9 mt -138.36 139.18 42.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-O 120.651 0.262 . . . . 0.0 110.534 -178.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.53 159.17 34.36 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 123.04 0.536 . . . . 0.0 111.799 -177.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 20' ' ' ASP . 8.7 t -82.4 138.37 34.46 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.641 0.734 . . . . 0.0 112.319 -175.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.5 mmm -107.46 171.11 7.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.009 177.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.599 ' H ' HD12 ' A' ' 13' ' ' LEU . 16.4 mm100 -89.21 170.01 10.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.059 0.457 . . . . 0.0 111.177 178.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -59.78 134.04 56.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.965 -178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.91 -3.1 85.99 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.018 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.599 HD12 ' H ' ' A' ' 10' ' ' GLN . 25.4 mt -95.21 154.2 39.55 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 23.4 Cg_exo -63.34 122.29 10.41 Favored 'Trans proline' 0 C--O 1.229 0.046 0 C-N-CA 122.762 2.308 . . . . 0.0 112.033 -178.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.518 ' O ' ' HB3' ' A' ' 29' ' ' LEU . 22.0 p -109.77 152.27 25.9 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.559 ' SD ' HD13 ' A' ' 29' ' ' LEU . 22.6 mmt -131.41 1.79 4.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.883 0.373 . . . . 0.0 111.171 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' HG ' ' A' ' 2' ' ' LEU . 1.0 OUTLIER -151.61 160.18 43.76 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.607 -174.333 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.406 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 44.7 m-70 -62.86 -48.22 79.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.796 0.331 . . . . 0.0 110.273 178.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.476 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 32.6 m -82.53 -0.99 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.043 -178.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.557 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 11.7 t70 -63.51 -30.46 71.58 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 169.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.6 m -99.45 125.81 45.24 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.67 169.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.41 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 81.6 m -55.65 -21.85 19.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.446 175.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -98.37 9.1 43.87 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.6 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.63 -3.05 65.09 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 115.781 1.072 . . . . 0.0 115.781 168.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 39.3 t -113.6 110.05 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 118.69 1.245 . . . . 0.0 112.705 -175.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.3 t -106.31 113.86 27.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.329 173.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -137.68 141.79 41.11 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.587 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 p 44.71 67.86 0.64 Allowed 'General case' 0 C--N 1.352 0.695 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.559 HD13 ' SD ' ' A' ' 16' ' ' MET . 88.4 mt -40.51 86.72 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 123.057 1.408 . . . . 0.0 113.533 -137.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -152.18 143.1 23.04 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 111.739 -2.482 . . . . 0.0 105.545 166.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 3.1 t -57.51 111.85 1.24 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.073 0.463 . . . . 0.0 110.032 -176.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.474 HD12 ' CE2' ' A' ' 33' ' ' TYR . 2.6 tm? -73.09 -47.24 46.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.435 -167.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.474 ' CE2' HD12 ' A' ' 32' ' ' LEU . 67.6 m-85 . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.401 -178.718 . . . . . . . . 1 1 . 1 stop_ save_