data_1lun_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 1lun _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 3.29 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.571 ' O ' ' C ' ' A' ' 5' ' ' ASN . 7.1 m120 -101.16 -7.88 22.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 3.43 110.811 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.571 ' C ' ' O ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -21.25 139.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 3.28 110.82 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.826 ' O ' ' CG2' ' A' ' 8' ' ' THR . 0.2 OUTLIER -96.87 -33.27 11.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 1.42 110.938 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.587 ' C ' ' O ' ' A' ' 6' ' ' LEU . 2.8 pt-20 -18.44 74.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.526 0.679 . . . . 1.96 111.056 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.826 ' CG2' ' O ' ' A' ' 6' ' ' LEU . 5.0 t 176.57 -11.62 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.691 -1.141 . . . . 1.63 112.364 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.981 ' CG ' ' CZ2' ' A' ' 11' ' ' TRP . 85.9 m-85 -87.9 129.53 35.19 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 120.805 0.336 . . . . 1.89 111.461 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.775 ' O ' ' C ' ' A' ' 109' ' ' VAL . 0.5 OUTLIER -41.49 -25.5 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.97 -0.752 . . . . 1.97 108.97 178.762 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 1.071 ' CG ' ' CE2' ' A' ' 34' ' ' PHE . 18.8 p-90 -88.71 -27.83 20.96 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 113.527 0.936 . . . . 0.27 113.527 -178.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.76 ' CE1' HD11 ' A' ' 6' ' ' LEU . 16.1 t80 -75.24 135.71 40.98 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.237 0.828 . . . . 1.81 113.237 -178.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.867 ' ND2' ' CE ' ' A' ' 35' ' ' MET . 5.2 m-20 -139.24 97.15 3.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.509 -1.223 . . . . 1.65 109.886 178.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.517 ' C ' ' H ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -63.13 155.88 26.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.146 0.498 . . . . 3.28 111.989 -178.865 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.92 1.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.593 -0.73 . . . . 2.16 112.226 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.755 HG13 ' HB3' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -64.19 164.38 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.541 0.686 . . . . 1.15 112.709 -179.488 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.779 ' CB ' ' CD ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -126.46 -171.57 2.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.691 -1.14 . . . . 1.56 109.417 178.372 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.769 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 1.3 ptm180 -74.75 -37.14 62.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.878 0.371 . . . . 3.76 110.914 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.439 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 2.9 m-20 -74.5 -46.44 39.35 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.985 0.735 . . . . 1.99 112.985 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.779 ' CD ' ' CB ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -57.19 -52.34 65.71 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 111.932 0.345 . . . . 4.01 111.932 -178.302 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.912 ' HA ' ' CG ' ' A' ' 24' ' ' LEU . . . -51.52 -51.42 55.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.103 0.477 . . . . 1.16 110.032 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.684 ' HG2' ' CG2' ' A' ' 61' ' ' ILE . 54.5 mt-10 -55.36 -43.73 75.36 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.502 -0.925 . . . . 1.7 108.502 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' A' ' 20' ' ' LYS . 3.3 pttt -57.85 -51.64 68.77 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.341 -0.845 . . . . 3.01 109.266 178.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.912 ' CG ' ' HA ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -59.61 -43.85 93.63 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.469 -0.567 . . . . 2.27 109.469 178.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.861 ' CD1' ' HB2' ' A' ' 50' ' ' PHE . 71.4 mt -60.83 -47.96 83.99 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.012 0.435 . . . . 2.03 109.872 178.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.444 ' CD1' ' HE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -56.04 -36.35 67.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.871 -0.604 . . . . 2.27 110.827 179.826 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -54.53 -49.82 69.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.309 -0.405 . . . . 2.2 110.876 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.796 ' CG2' ' CD ' ' A' ' 30' ' ' LYS . 10.1 t -89.83 -54.64 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.226 0.536 . . . . 2.13 109.791 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.853 ' HA2' ' CZ ' ' A' ' 50' ' ' PHE . . . 66.5 71.1 0.96 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.267 -0.879 . . . . 1.53 114.161 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.824 ' CE ' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -102.95 -175.88 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.866 -0.42 . . . . 3.14 109.866 178.253 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.688 ' HB2' ' HG3' ' A' ' 52' ' ' LYS . 69.8 tt0 -85.92 107.28 17.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.339 -0.392 . . . . 2.11 110.172 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.557 ' HA3' ' CG2' ' A' ' 103' ' ' THR . . . 71.45 34.68 63.46 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.555 -0.831 . . . . 0.66 111.939 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.89 ' HB3' ' HB3' ' A' ' 50' ' ' PHE . . . -44.9 127.54 6.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.648 -0.501 . . . . 1.03 109.648 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 1.071 ' CE2' ' CG ' ' A' ' 11' ' ' TRP . 11.6 t80 -106.91 128.16 54.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.144 0.794 . . . . 0.29 113.144 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.867 ' CE ' ' ND2' ' A' ' 13' ' ' ASN . 33.2 tpp -135.23 164.2 28.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.612 -0.722 . . . . 1.22 109.757 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.795 ' CG2' ' CE3' ' A' ' 11' ' ' TRP . 92.3 t -140.62 150.34 20.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.824 0.345 . . . . 1.09 111.404 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.806 ' HD3' ' CG2' ' A' ' 46' ' ' THR . 0.0 OUTLIER -150.04 133.44 16.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.113 -0.494 . . . . 3.38 111.622 -179.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.549 ' HB2' ' OH ' ' A' ' 12' ' ' TYR . 19.0 t0 -64.71 148.26 51.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.892 -0.595 . . . . 1.35 110.795 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.78 ' CB ' ' NE2' ' A' ' 65' ' ' HIS . 1.6 t -117.81 -110.25 0.35 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.07 -0.514 . . . . 2.0 111.219 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.665 ' O ' ' O ' ' A' ' 41' ' ' THR . 0.2 OUTLIER -174.92 -21.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.98 -0.555 . . . . 4.78 110.36 -179.847 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.92 ' CG2' ' HD2' ' A' ' 42' ' ' PRO . 0.8 OUTLIER -46.17 -161.59 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.657 -0.701 . . . . 1.76 110.682 179.616 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.92 ' HD2' ' CG2' ' A' ' 41' ' ' THR . 66.1 Cg_exo -41.85 -1.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.797 2.331 . . . . 1.93 114.066 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 41' ' ' THR . . . 113.54 18.28 7.13 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 119.89 -1.148 . . . . 1.2 113.903 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.878 ' CB ' ' O ' ' A' ' 66' ' ' ILE . 0.5 OUTLIER -87.75 -171.52 3.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.326 0.584 . . . . 1.44 112.063 -179.371 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.812 ' CD2' HD11 ' A' ' 6' ' ' LEU . 4.3 m-85 -129.35 160.78 32.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.112 -0.949 . . . . 2.25 110.626 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.806 ' CG2' ' HD3' ' A' ' 37' ' ' ARG . 3.7 m -98.83 152.01 20.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.289 -0.414 . . . . 1.08 110.533 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.818 ' CG1' ' CE1' ' A' ' 34' ' ' PHE . 40.9 t -125.75 113.06 32.92 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-O 121.01 0.433 . . . . 1.41 111.111 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.785 ' CB ' ' HB3' ' A' ' 35' ' ' MET . 0.1 OUTLIER -89.35 109.63 20.51 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.506 -0.554 . . . . 1.85 109.506 179.044 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.749 ' HA ' ' O ' ' A' ' 33' ' ' ALA . 20.5 m -108.81 130.34 61.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.392 -0.367 . . . . 1.11 110.196 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.89 ' HB3' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -122.22 135.28 54.74 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 113.034 0.753 . . . . 2.18 113.034 -177.754 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.487 ' HB ' ' H ' ' A' ' 60' ' ' CYS . 4.0 m -100.1 127.54 46.32 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 115.272 -0.877 . . . . 1.58 110.976 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.826 ' N ' ' HD3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -54.97 150.74 9.77 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.734 -0.469 . . . . 4.16 109.734 178.484 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.718 ' HB2' ' CD ' ' A' ' 59' ' ' PRO . . . 150.81 166.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.837 -0.345 . . . . 3.07 111.245 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.628 ' O ' ' N ' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -175.02 -98.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.319 -0.401 . . . . 5.72 111.275 -179.763 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.623 HG13 ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER 23.71 -110.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 4.55 111.155 -179.798 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.745 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 73.2 p -99.35 17.07 21.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.367 . . . . 4.48 110.666 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.745 ' CB ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER 119.23 170.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.839 -0.618 . . . . 6.1 110.578 -179.837 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.785 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 3.5 m120 138.22 -25.38 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.387 -0.37 . . . . 5.38 111.165 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.785 ' CD ' ' N ' ' A' ' 58' ' ' ASN . 94.2 Cg_endo -87.21 104.62 0.6 Allowed 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.68 2.253 . . . . 2.45 111.793 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.487 ' H ' ' HB ' ' A' ' 51' ' ' THR . 70.5 m -109.86 124.97 52.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.023 -0.535 . . . . 2.44 111.76 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.684 ' CG2' ' HG2' ' A' ' 22' ' ' GLU . 1.2 mp -101.05 120.42 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.966 -0.561 . . . . 1.33 109.928 178.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.783 ' HB2' ' CE1' ' A' ' 64' ' ' TYR . 0.0 OUTLIER -114.25 130.66 56.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.991 0.424 . . . . 1.96 111.29 -179.289 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.769 ' CE1' ' O ' ' A' ' 18' ' ' ARG . 77.7 m-70 -93.23 103.82 16.05 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.883 -0.599 . . . . 1.06 110.186 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.791 ' CD2' ' HG ' ' A' ' 101' ' ' LEU . 8.7 m-30 -96.16 119.01 33.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.173 -0.467 . . . . 1.68 112.133 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.78 ' NE2' ' CB ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -89.35 145.09 25.59 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 120.545 -0.462 . . . . 1.35 110.152 178.324 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.878 ' O ' ' CB ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -89.53 103.77 14.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.395 -0.522 . . . . 1.21 110.36 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 1.073 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 1.5 tpmt? -66.78 150.26 49.37 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.384 -0.599 . . . . 2.41 109.384 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.782 ' CD ' ' CE1' ' A' ' 76' ' ' TYR . 2.9 mt-10 -113.91 137.98 50.94 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.78 0.675 . . . . 2.11 110.702 -179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.869 ' O ' ' N ' ' A' ' 71' ' ' ASP . 0.1 OUTLIER -145.57 100.52 3.45 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.525 -0.307 . . . . 1.35 110.683 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -40.33 68.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 3.5 111.263 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.869 ' N ' ' O ' ' A' ' 69' ' ' THR . 5.1 t70 -90.87 -152.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.408 -0.36 . . . . 3.56 110.524 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 p -137.93 67.22 48.96 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.44 -0.345 . . . . 3.07 111.758 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.679 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 64.6 Cg_endo -97.1 -43.31 0.16 OUTLIER 'Cis proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.902 -1.291 . . . . 3.98 112.373 -0.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.793 ' HB3' ' HB ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER 4.81 79.85 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.624 -0.716 . . . . 3.16 112.02 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.806 ' O ' ' N ' ' A' ' 69' ' ' THR . 27.5 mtm180 -100.66 -49.49 4.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.439 -0.8 . . . . 3.71 111.019 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 1.073 ' HA ' ' O ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -87.8 149.33 24.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.177 0.513 . . . . 1.69 112.112 -177.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.849 ' CE2' ' HA ' ' A' ' 80' ' ' GLU . 14.3 p90 -172.4 165.23 5.78 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.503 -0.771 . . . . 2.2 111.002 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.742 HG12 ' HA ' ' A' ' 66' ' ' ILE . 21.5 m -136.46 51.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.695 0.284 . . . . 1.53 111.553 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.814 ' CB ' ' CE ' ' A' ' 81' ' ' LYS . . . 163.62 43.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.344 -0.389 . . . . 1.2 110.642 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.849 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 5.4 mt-10 36.03 29.05 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 106.887 -1.523 . . . . 2.31 106.887 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.905 ' CG ' ' CD1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -123.69 -169.55 1.97 Allowed 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 113.857 -1.52 . . . . 2.5 111.32 -177.769 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.905 ' CD1' ' CG ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -12.73 108.85 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.006 0.432 . . . . 2.73 110.724 -179.133 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.793 ' HB ' ' HB3' ' A' ' 74' ' ' LYS . 2.7 t -105.93 145.16 14.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 115.85 -0.614 . . . . 1.61 109.367 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.935 ' CE1' ' CD2' ' A' ' 93' ' ' TYR . 4.4 m-85 -139.96 -174.01 3.8 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.25 -0.432 . . . . 2.13 111.595 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.541 ' OD1' ' O ' ' A' ' 85' ' ' ASP . 6.8 t0 -109.46 14.43 23.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.016 -0.538 . . . . 2.2 111.028 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.809 ' CA ' HD13 ' A' ' 89' ' ' LEU . 1.5 m -175.28 143.24 0.65 Allowed 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.851 0.834 . . . . 1.55 111.921 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.965 ' O ' HG12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -52.71 -45.19 96.81 Favored Pre-proline 0 N--CA 1.446 -0.647 0 CA-C-N 114.94 -1.027 . . . . 1.08 109.861 179.176 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.944 ' HB3' ' CZ ' ' A' ' 9' ' ' TYR . 9.5 Cg_endo -52.47 -48.99 19.0 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.153 1.902 . . . . 0.83 112.001 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.809 HD13 ' CA ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -69.92 -44.76 68.97 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 106.879 -1.526 . . . . 1.44 106.879 177.433 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.817 ' CD1' ' CG2' ' A' ' 66' ' ' ILE . 2.2 tt -57.32 -37.4 72.45 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.275 -0.875 . . . . 1.51 109.2 177.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.965 HG12 ' O ' ' A' ' 87' ' ' ILE . 49.1 mm -79.14 -45.54 24.02 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-N 115.583 -0.735 . . . . 1.04 109.113 178.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.678 ' N ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -54.97 -40.4 70.0 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.476 -0.784 . . . . 1.5 109.107 178.51 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.935 ' CD2' ' CE1' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -66.38 -43.15 86.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.834 -0.621 . . . . 1.75 109.916 178.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.886 ' CE1' ' CE2' ' A' ' 93' ' ' TYR . 96.8 m-70 -69.22 -47.35 65.04 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.166 0.507 . . . . 0.66 109.736 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.729 ' HA ' ' O ' ' A' ' 105' ' ' LEU . 1.5 mt-30 -48.49 -36.59 15.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.498 -0.774 . . . . 2.26 110.769 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.709 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 81.9 m-85 -105.01 -108.94 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.983 -0.553 . . . . 4.35 110.852 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.65 ' C ' ' O ' ' A' ' 96' ' ' TYR . 15.1 m-80 -2.22 -116.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 2.01 111.119 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.655 ' O ' ' N ' ' A' ' 100' ' ' GLY . . . -166.37 22.91 0.12 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.677 -0.773 . . . . 1.68 112.551 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.738 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . -41.53 81.74 0.0 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.738 -0.744 . . . . 1.49 112.461 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 98' ' ' GLY . . . 14.13 -112.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 1.72 112.321 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.791 ' HG ' ' CD2' ' A' ' 64' ' ' TYR . 6.9 mp 51.22 151.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.682 0.277 . . . . 1.27 110.944 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.677 HG13 ' CG2' ' A' ' 49' ' ' VAL . 9.4 m -20.45 -45.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.012 0.434 . . . . 1.74 110.843 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.696 ' OG1' ' HB2' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -169.92 46.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.862 -0.608 . . . . 1.55 110.467 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.709 ' CD ' ' O ' ' A' ' 96' ' ' TYR . 7.5 ptt85 40.11 66.56 0.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 2.75 111.491 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 1.045 ' CD1' ' CG ' ' A' ' 34' ' ' PHE . 0.4 OUTLIER 42.2 85.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.908 0.385 . . . . 1.6 110.505 179.389 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.696 ' HB2' ' OG1' ' A' ' 103' ' ' THR . 2.6 tpt85 -89.12 -29.18 19.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 2.92 111.898 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.582 ' HD2' ' NZ ' ' A' ' 30' ' ' LYS . 55.4 t80 -165.23 93.29 0.9 Allowed Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 112.086 0.402 . . . . 2.0 112.086 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.921 ' HA ' ' O ' ' A' ' 34' ' ' PHE . 10.6 Cg_endo -52.99 109.58 0.37 Allowed 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.662 2.241 . . . . 0.46 112.066 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.93 ' N ' ' O ' ' A' ' 34' ' ' PHE . 2.1 t -76.51 131.98 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 109.552 -0.536 . . . . 2.06 109.552 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.691 ' CB ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -123.52 84.91 2.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.334 0.588 . . . . 1.5 110.111 -179.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.493 ' H ' ' HE2' ' A' ' 35' ' ' MET . . . -60.2 -135.67 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.182 -0.917 . . . . 2.39 112.531 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.396 0 O-C-N 122.562 -0.375 . . . . 2.76 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 2.81 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.571 ' O ' ' C ' ' A' ' 5' ' ' ASN . 32.1 m-20 -101.16 -7.88 22.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 3.09 110.811 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.571 ' C ' ' O ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -21.25 139.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 2.67 110.82 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 1.167 ' O ' HG22 ' A' ' 8' ' ' THR . 0.2 OUTLIER -96.87 -33.27 11.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 1.42 110.938 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.587 ' C ' ' O ' ' A' ' 6' ' ' LEU . 2.8 pt-20 -18.44 74.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.526 0.679 . . . . 1.96 111.056 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 1.167 HG22 ' O ' ' A' ' 6' ' ' LEU . 5.0 t 176.57 -11.62 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.691 -1.141 . . . . 1.27 112.364 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.981 ' CG ' ' CZ2' ' A' ' 11' ' ' TRP . 85.9 m-85 -87.9 129.53 35.19 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 120.805 0.336 . . . . 1.08 111.461 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.775 ' O ' ' C ' ' A' ' 109' ' ' VAL . 0.5 OUTLIER -41.49 -25.5 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.97 -0.752 . . . . 1.97 108.97 178.762 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 1.071 ' CG ' ' CE2' ' A' ' 34' ' ' PHE . 18.8 p-90 -88.71 -27.83 20.96 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 113.527 0.936 . . . . 0.23 113.527 -178.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 1.069 ' CE1' HD12 ' A' ' 6' ' ' LEU . 16.1 t80 -75.24 135.71 40.98 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.237 0.828 . . . . 1.1 113.237 -178.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.77 ' OD1' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -139.24 97.15 3.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.509 -1.223 . . . . 1.65 109.886 178.483 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -63.13 155.88 26.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.146 0.498 . . . . 2.78 111.989 -178.865 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.92 1.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.593 -0.73 . . . . 1.84 112.226 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.051 HD11 HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -64.19 164.38 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.541 0.686 . . . . 0.68 112.709 -179.488 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.779 ' CB ' ' CD ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -126.46 -171.57 2.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.691 -1.14 . . . . 1.27 109.417 178.372 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.769 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 1.3 ptm180 -74.75 -37.14 62.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.878 0.371 . . . . 3.3 110.914 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 2.9 m-20 -74.5 -46.44 39.35 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.985 0.735 . . . . 1.99 112.985 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.779 ' CD ' ' CB ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -57.19 -52.34 65.71 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 111.932 0.345 . . . . 3.58 111.932 -178.302 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.917 ' HA ' ' CG ' ' A' ' 24' ' ' LEU . . . -51.52 -51.42 55.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.103 0.477 . . . . 0.38 110.032 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.692 ' HG2' ' CG2' ' A' ' 61' ' ' ILE . 54.5 mt-10 -55.36 -43.73 75.36 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.502 -0.925 . . . . 1.7 108.502 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.624 ' HG2' ' O ' ' A' ' 20' ' ' LYS . 3.3 pttt -57.85 -51.64 68.77 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.341 -0.845 . . . . 2.54 109.266 178.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.051 HD21 HD11 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -59.61 -43.85 93.63 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.469 -0.567 . . . . 1.66 109.469 178.722 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.085 HD13 ' HB2' ' A' ' 50' ' ' PHE . 71.4 mt -60.83 -47.96 83.99 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.012 0.435 . . . . 1.34 109.872 178.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.878 HD12 ' HE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -56.04 -36.35 67.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.871 -0.604 . . . . 1.67 110.827 179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -54.53 -49.82 69.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.309 -0.405 . . . . 2.2 110.876 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.848 HG23 ' CD ' ' A' ' 30' ' ' LYS . 10.1 t -89.83 -54.64 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.226 0.536 . . . . 1.7 109.791 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.873 ' HA2' ' CZ ' ' A' ' 50' ' ' PHE . . . 66.5 71.1 0.96 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.267 -0.879 . . . . 1.53 114.161 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 1.052 ' HE3' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -102.95 -175.88 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.866 -0.42 . . . . 2.55 109.866 178.253 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.7 ' HB2' ' HG3' ' A' ' 52' ' ' LYS . 69.8 tt0 -85.92 107.28 17.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.339 -0.392 . . . . 2.11 110.172 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.619 ' HA3' HG23 ' A' ' 103' ' ' THR . . . 71.45 34.68 63.46 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.555 -0.831 . . . . 0.53 111.939 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 1.052 ' HB2' ' HE3' ' A' ' 30' ' ' LYS . . . -44.9 127.54 6.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.648 -0.501 . . . . 0.35 109.648 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 1.153 ' CE1' HG13 ' A' ' 47' ' ' VAL . 11.6 t80 -106.91 128.16 54.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.144 0.794 . . . . 0.25 113.144 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . 1.05 ' CE ' HG12 ' A' ' 109' ' ' VAL . 33.2 tpp -135.23 164.2 28.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.612 -0.722 . . . . 0.97 109.757 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.946 HG13 ' O ' ' A' ' 46' ' ' THR . 92.3 t -140.62 150.34 20.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.824 0.345 . . . . 0.28 111.404 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.86 ' HB2' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -150.04 133.44 16.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.113 -0.494 . . . . 2.83 111.622 -179.767 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.556 ' HB2' ' OH ' ' A' ' 12' ' ' TYR . 19.0 t0 -64.71 148.26 51.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.892 -0.595 . . . . 1.35 110.795 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.78 ' CB ' ' NE2' ' A' ' 65' ' ' HIS . 1.6 t -117.81 -110.25 0.35 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.07 -0.514 . . . . 1.47 111.219 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.665 ' O ' ' O ' ' A' ' 41' ' ' THR . 0.2 OUTLIER -174.92 -21.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.98 -0.555 . . . . 4.32 110.36 -179.847 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.947 ' CG2' HG23 ' A' ' 44' ' ' THR . 0.8 OUTLIER -46.17 -161.59 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.657 -0.701 . . . . 1.49 110.682 179.616 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.935 ' HD2' ' CG2' ' A' ' 41' ' ' THR . 66.1 Cg_exo -41.85 -1.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.797 2.331 . . . . 1.55 114.066 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 41' ' ' THR . . . 113.54 18.28 7.13 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 119.89 -1.148 . . . . 1.0 113.903 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.947 HG23 ' CG2' ' A' ' 41' ' ' THR . 0.5 OUTLIER -87.75 -171.52 3.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.326 0.584 . . . . 0.99 112.063 -179.371 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.803 ' HB2' ' CG1' ' A' ' 87' ' ' ILE . 4.3 m-85 -129.35 160.78 32.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.112 -0.949 . . . . 1.34 110.626 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.946 ' O ' HG13 ' A' ' 36' ' ' VAL . 3.7 m -98.83 152.01 20.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.289 -0.414 . . . . 0.33 110.533 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 1.153 HG13 ' CE1' ' A' ' 34' ' ' PHE . 40.9 t -125.75 113.06 32.92 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-O 121.01 0.433 . . . . 0.8 111.111 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.785 ' CB ' ' HB3' ' A' ' 35' ' ' MET . 0.1 OUTLIER -89.35 109.63 20.51 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.506 -0.554 . . . . 1.3 109.506 179.044 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.928 HG22 ' O ' ' A' ' 62' ' ' LYS . 20.5 m -108.81 130.34 61.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.392 -0.367 . . . . 0.4 110.196 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 1.085 ' HB2' HD13 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -122.22 135.28 54.74 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 113.034 0.753 . . . . 1.27 113.034 -177.754 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.558 ' HB ' ' H ' ' A' ' 60' ' ' CYS . 4.0 m -100.1 127.54 46.32 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 115.272 -0.877 . . . . 1.04 110.976 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.838 ' N ' ' HD3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -54.97 150.74 9.77 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.734 -0.469 . . . . 3.71 109.734 178.484 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.936 ' HB3' ' N ' ' A' ' 59' ' ' PRO . . . 150.81 166.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.837 -0.345 . . . . 3.07 111.245 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.775 HG23 ' O ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -175.02 -98.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.319 -0.401 . . . . 5.2 111.275 -179.763 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.753 ' H ' HD12 ' A' ' 54' ' ' ILE . 0.5 OUTLIER 23.71 -110.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 4.23 111.155 -179.798 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.745 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 73.2 p -99.35 17.07 21.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.367 . . . . 4.38 110.666 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.745 ' CB ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER 119.23 170.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.839 -0.618 . . . . 6.1 110.578 -179.837 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.785 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 46.0 m-20 138.22 -25.38 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.387 -0.37 . . . . 4.63 111.165 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.936 ' N ' ' HB3' ' A' ' 53' ' ' ALA . 94.2 Cg_endo -87.21 104.62 0.6 Allowed 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.68 2.253 . . . . 2.06 111.793 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.558 ' H ' ' HB ' ' A' ' 51' ' ' THR . 70.5 m -109.86 124.97 52.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.023 -0.535 . . . . 1.97 111.76 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.768 ' CG2' HD12 ' A' ' 25' ' ' LEU . 1.2 mp -101.05 120.42 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.966 -0.561 . . . . 0.83 109.928 178.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.928 ' O ' HG22 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -114.25 130.66 56.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.991 0.424 . . . . 1.37 111.29 -179.289 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.769 ' CE1' ' O ' ' A' ' 18' ' ' ARG . 77.7 m-70 -93.23 103.82 16.05 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.883 -0.599 . . . . 0.85 110.186 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.83 ' CZ ' HG21 ' A' ' 49' ' ' VAL . 8.7 m-30 -96.16 119.01 33.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.173 -0.467 . . . . 1.06 112.133 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 1.177 ' O ' HG12 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -89.35 145.09 25.59 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 120.545 -0.462 . . . . 0.85 110.152 178.324 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 1.114 HD13 ' N ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -89.53 103.77 14.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.395 -0.522 . . . . 0.46 110.36 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 1.118 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 1.5 tpmt? -66.78 150.26 49.37 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.384 -0.599 . . . . 1.87 109.384 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.782 ' CD ' ' CE1' ' A' ' 76' ' ' TYR . 2.9 mt-10 -113.91 137.98 50.94 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.78 0.675 . . . . 2.11 110.702 -179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.869 ' O ' ' N ' ' A' ' 71' ' ' ASP . 0.1 OUTLIER -145.57 100.52 3.45 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.525 -0.307 . . . . 1.19 110.683 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -40.33 68.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 2.7 111.263 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.869 ' N ' ' O ' ' A' ' 69' ' ' THR . 5.1 t70 -90.87 -152.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.408 -0.36 . . . . 3.56 110.524 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 p -137.93 67.22 48.96 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.44 -0.345 . . . . 2.74 111.758 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.694 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 64.6 Cg_endo -97.1 -43.31 0.16 OUTLIER 'Cis proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.902 -1.291 . . . . 3.3 112.373 -0.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.812 ' HB3' ' HB ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER 4.81 79.85 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.624 -0.716 . . . . 2.79 112.02 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.806 ' O ' ' N ' ' A' ' 69' ' ' THR . 27.5 mtm180 -100.66 -49.49 4.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.439 -0.8 . . . . 3.22 111.019 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 1.118 ' HA ' ' O ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -87.8 149.33 24.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.177 0.513 . . . . 1.06 112.112 -177.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 1.054 ' HA ' HD11 ' A' ' 90' ' ' LEU . 14.3 p90 -172.4 165.23 5.78 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.503 -0.771 . . . . 1.31 111.002 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.177 HG12 ' O ' ' A' ' 65' ' ' HIS . 21.5 m -136.46 51.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.695 0.284 . . . . 1.18 111.553 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 1.165 ' HB3' ' CD ' ' A' ' 81' ' ' LYS . . . 163.62 43.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.344 -0.389 . . . . 0.64 110.642 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.83 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 5.4 mt-10 36.03 29.05 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 106.887 -1.523 . . . . 2.31 106.887 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 1.165 ' CD ' ' HB3' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -123.69 -169.55 1.97 Allowed 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 113.857 -1.52 . . . . 2.07 111.32 -177.769 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.907 ' CD1' ' HG3' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -12.73 108.85 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.006 0.432 . . . . 2.11 110.724 -179.133 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.812 ' HB ' ' HB3' ' A' ' 74' ' ' LYS . 2.7 t -105.93 145.16 14.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 115.85 -0.614 . . . . 1.01 109.367 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.935 ' CE1' ' CD2' ' A' ' 93' ' ' TYR . 4.4 m-85 -139.96 -174.01 3.8 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.25 -0.432 . . . . 1.27 111.595 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.541 ' OD1' ' O ' ' A' ' 85' ' ' ASP . 6.8 t0 -109.46 14.43 23.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.016 -0.538 . . . . 2.2 111.028 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 1.01 ' HB2' HD11 ' A' ' 89' ' ' LEU . 1.5 m -175.28 143.24 0.65 Allowed 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.851 0.834 . . . . 1.14 111.921 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.982 ' O ' HG12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -52.71 -45.19 96.81 Favored Pre-proline 0 N--CA 1.446 -0.647 0 CA-C-N 114.94 -1.027 . . . . 0.34 109.861 179.176 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 1.056 ' HD3' HD22 ' A' ' 6' ' ' LEU . 9.5 Cg_endo -52.47 -48.99 19.0 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.153 1.902 . . . . 0.46 112.001 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.01 HD11 ' HB2' ' A' ' 86' ' ' SER . 0.0 OUTLIER -69.92 -44.76 68.97 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 106.879 -1.526 . . . . 0.79 106.879 177.433 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.097 HD13 ' CG2' ' A' ' 66' ' ' ILE . 2.2 tt -57.32 -37.4 72.45 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.275 -0.875 . . . . 0.84 109.2 177.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 1.151 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 49.1 mm -79.14 -45.54 24.02 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-N 115.583 -0.735 . . . . 0.25 109.113 178.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.678 ' N ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -54.97 -40.4 70.0 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.476 -0.784 . . . . 1.5 109.107 178.51 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.935 ' CD2' ' CE1' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -66.38 -43.15 86.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.834 -0.621 . . . . 1.21 109.916 178.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 1.056 ' CB ' HD23 ' A' ' 105' ' ' LEU . 44.2 m80 -69.22 -47.35 65.04 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.166 0.507 . . . . 0.55 109.736 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.742 ' HA ' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -48.49 -36.59 15.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.498 -0.774 . . . . 1.81 110.769 -179.672 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.709 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 81.9 m-85 -105.01 -108.94 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.983 -0.553 . . . . 4.19 110.852 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.65 ' C ' ' O ' ' A' ' 96' ' ' TYR . 15.1 m-80 -2.22 -116.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 2.01 111.119 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.655 ' O ' ' N ' ' A' ' 100' ' ' GLY . . . -166.37 22.91 0.12 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.677 -0.773 . . . . 1.68 112.551 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.757 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . -41.53 81.74 0.0 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.738 -0.744 . . . . 1.49 112.461 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 98' ' ' GLY . . . 14.13 -112.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 1.72 112.321 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.794 ' HG ' ' CD2' ' A' ' 64' ' ' TYR . 6.9 mp 51.22 151.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.682 0.277 . . . . 0.74 110.944 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.779 HG21 ' HB ' ' A' ' 49' ' ' VAL . 9.4 m -20.45 -45.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.012 0.434 . . . . 1.14 110.843 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.717 ' OG1' ' HB2' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -169.92 46.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.862 -0.608 . . . . 1.06 110.467 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.709 ' CD ' ' O ' ' A' ' 96' ' ' TYR . 7.5 ptt85 40.11 66.56 0.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 2.37 111.491 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 1.056 HD23 ' CB ' ' A' ' 94' ' ' HIS . 0.4 OUTLIER 42.2 85.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.908 0.385 . . . . 0.99 110.505 179.389 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.717 ' HB2' ' OG1' ' A' ' 103' ' ' THR . 2.6 tpt85 -89.12 -29.18 19.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 2.44 111.898 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.587 ' HD2' ' HZ3' ' A' ' 30' ' ' LYS . 55.4 t80 -165.23 93.29 0.9 Allowed Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 112.086 0.402 . . . . 1.29 112.086 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.985 ' HA ' ' O ' ' A' ' 34' ' ' PHE . 10.6 Cg_endo -52.99 109.58 0.37 Allowed 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.662 2.241 . . . . 0.46 112.066 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 1.05 HG12 ' CE ' ' A' ' 35' ' ' MET . 2.1 t -76.51 131.98 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 109.552 -0.536 . . . . 1.44 109.552 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.691 ' CB ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -123.52 84.91 2.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.334 0.588 . . . . 1.25 110.111 -179.759 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.574 ' H ' ' HE1' ' A' ' 35' ' ' MET . . . -60.2 -135.67 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.182 -0.917 . . . . 2.39 112.531 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.396 0 O-C-N 122.562 -0.375 . . . . 2.06 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 2.81 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.571 ' O ' ' C ' ' A' ' 5' ' ' ASN . 7.1 m120 -101.16 -7.88 22.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.792 0.33 . . . . 3.09 110.811 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.571 ' C ' ' O ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -21.25 139.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 2.67 110.82 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 1.167 ' O ' HG22 ' A' ' 8' ' ' THR . 0.2 OUTLIER -96.87 -33.27 11.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 1.42 110.938 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.587 ' C ' ' O ' ' A' ' 6' ' ' LEU . 2.8 pt-20 -18.44 74.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.526 0.679 . . . . 1.96 111.056 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 1.167 HG22 ' O ' ' A' ' 6' ' ' LEU . 5.0 t 176.57 -11.62 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.691 -1.141 . . . . 1.27 112.364 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.981 ' CG ' ' CZ2' ' A' ' 11' ' ' TRP . 85.9 m-85 -87.9 129.53 35.19 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 120.805 0.336 . . . . 1.08 111.461 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.775 ' O ' ' C ' ' A' ' 109' ' ' VAL . 0.5 OUTLIER -41.49 -25.5 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.97 -0.752 . . . . 1.97 108.97 178.762 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 1.071 ' CG ' ' CE2' ' A' ' 34' ' ' PHE . 18.8 p-90 -88.71 -27.83 20.96 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 113.527 0.936 . . . . 0.23 113.527 -178.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 1.069 ' CE1' HD12 ' A' ' 6' ' ' LEU . 16.1 t80 -75.24 135.71 40.98 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.237 0.828 . . . . 1.1 113.237 -178.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.923 ' ND2' HD22 ' A' ' 24' ' ' LEU . 5.2 m-20 -139.24 97.15 3.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.509 -1.223 . . . . 1.65 109.886 178.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -63.13 155.88 26.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.146 0.498 . . . . 2.78 111.989 -178.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.92 1.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.593 -0.73 . . . . 1.84 112.226 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.051 HD11 HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -64.19 164.38 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.541 0.686 . . . . 0.68 112.709 -179.488 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.779 ' CB ' ' CD ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -126.46 -171.57 2.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.691 -1.14 . . . . 1.27 109.417 178.372 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.769 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 1.3 ptm180 -74.75 -37.14 62.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.878 0.371 . . . . 3.3 110.914 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 18' ' ' ARG . 2.9 m-20 -74.5 -46.44 39.35 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.985 0.735 . . . . 1.99 112.985 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.779 ' CD ' ' CB ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -57.19 -52.34 65.71 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 111.932 0.345 . . . . 3.58 111.932 -178.302 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.917 ' HA ' ' CG ' ' A' ' 24' ' ' LEU . . . -51.52 -51.42 55.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.103 0.477 . . . . 0.38 110.032 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.692 ' HG2' ' CG2' ' A' ' 61' ' ' ILE . 54.5 mt-10 -55.36 -43.73 75.36 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.502 -0.925 . . . . 1.7 108.502 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.624 ' HG2' ' O ' ' A' ' 20' ' ' LYS . 3.3 pttt -57.85 -51.64 68.77 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.341 -0.845 . . . . 2.54 109.266 178.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.051 HD21 HD11 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -59.61 -43.85 93.63 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.469 -0.567 . . . . 1.66 109.469 178.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.085 HD13 ' HB2' ' A' ' 50' ' ' PHE . 71.4 mt -60.83 -47.96 83.99 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.012 0.435 . . . . 1.34 109.872 178.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.878 HD12 ' HE2' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -56.04 -36.35 67.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.871 -0.604 . . . . 1.67 110.827 179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -54.53 -49.82 69.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.309 -0.405 . . . . 2.2 110.876 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.848 HG23 ' CD ' ' A' ' 30' ' ' LYS . 10.1 t -89.83 -54.64 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.226 0.536 . . . . 1.7 109.791 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.873 ' HA2' ' CZ ' ' A' ' 50' ' ' PHE . . . 66.5 71.1 0.96 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.267 -0.879 . . . . 1.53 114.161 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 1.052 ' HE3' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -102.95 -175.88 2.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.866 -0.42 . . . . 2.55 109.866 178.253 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.7 ' HB2' ' HG3' ' A' ' 52' ' ' LYS . 69.8 tt0 -85.92 107.28 17.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.339 -0.392 . . . . 2.11 110.172 179.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.619 ' HA3' HG23 ' A' ' 103' ' ' THR . . . 71.45 34.68 63.46 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.555 -0.831 . . . . 0.53 111.939 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 1.052 ' HB2' ' HE3' ' A' ' 30' ' ' LYS . . . -44.9 127.54 6.48 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.648 -0.501 . . . . 0.35 109.648 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 1.153 ' CE1' HG13 ' A' ' 47' ' ' VAL . 11.6 t80 -106.91 128.16 54.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.144 0.794 . . . . 0.25 113.144 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 1.05 ' CE ' HG12 ' A' ' 109' ' ' VAL . 33.2 tpp -135.23 164.2 28.25 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.612 -0.722 . . . . 0.97 109.757 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.946 HG13 ' O ' ' A' ' 46' ' ' THR . 92.3 t -140.62 150.34 20.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.824 0.345 . . . . 0.28 111.404 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.86 ' HB2' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -150.04 133.44 16.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.113 -0.494 . . . . 2.83 111.622 -179.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.556 ' HB2' ' OH ' ' A' ' 12' ' ' TYR . 19.0 t0 -64.71 148.26 51.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.892 -0.595 . . . . 1.35 110.795 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.78 ' CB ' ' NE2' ' A' ' 65' ' ' HIS . 1.6 t -117.81 -110.25 0.35 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.07 -0.514 . . . . 1.47 111.219 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.665 ' O ' ' O ' ' A' ' 41' ' ' THR . 0.2 OUTLIER -174.92 -21.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.98 -0.555 . . . . 4.32 110.36 -179.847 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.947 ' CG2' HG23 ' A' ' 44' ' ' THR . 0.8 OUTLIER -46.17 -161.59 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 115.657 -0.701 . . . . 1.49 110.682 179.616 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.935 ' HD2' ' CG2' ' A' ' 41' ' ' THR . 66.1 Cg_exo -41.85 -1.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.797 2.331 . . . . 1.55 114.066 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.705 ' N ' ' O ' ' A' ' 41' ' ' THR . . . 113.54 18.28 7.13 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 119.89 -1.148 . . . . 1.0 113.903 179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.947 HG23 ' CG2' ' A' ' 41' ' ' THR . 0.5 OUTLIER -87.75 -171.52 3.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.326 0.584 . . . . 0.99 112.063 -179.371 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.803 ' HB2' ' CG1' ' A' ' 87' ' ' ILE . 4.3 m-85 -129.35 160.78 32.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.112 -0.949 . . . . 1.34 110.626 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.946 ' O ' HG13 ' A' ' 36' ' ' VAL . 3.7 m -98.83 152.01 20.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.289 -0.414 . . . . 0.33 110.533 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.153 HG13 ' CE1' ' A' ' 34' ' ' PHE . 40.9 t -125.75 113.06 32.92 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.318 0 CA-C-O 121.01 0.433 . . . . 0.8 111.111 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.785 ' CB ' ' HB3' ' A' ' 35' ' ' MET . 0.1 OUTLIER -89.35 109.63 20.51 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.506 -0.554 . . . . 1.3 109.506 179.044 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.928 HG22 ' O ' ' A' ' 62' ' ' LYS . 20.5 m -108.81 130.34 61.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.392 -0.367 . . . . 0.4 110.196 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 1.085 ' HB2' HD13 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -122.22 135.28 54.74 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 113.034 0.753 . . . . 1.27 113.034 -177.754 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.558 ' HB ' ' H ' ' A' ' 60' ' ' CYS . 4.0 m -100.1 127.54 46.32 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 115.272 -0.877 . . . . 1.04 110.976 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.838 ' N ' ' HD3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -54.97 150.74 9.77 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.734 -0.469 . . . . 3.71 109.734 178.484 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.936 ' HB3' ' N ' ' A' ' 59' ' ' PRO . . . 150.81 166.9 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.837 -0.345 . . . . 3.07 111.245 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.775 HG23 ' O ' ' A' ' 53' ' ' ALA . 0.3 OUTLIER -175.02 -98.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.319 -0.401 . . . . 5.2 111.275 -179.763 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.753 ' H ' HD12 ' A' ' 54' ' ' ILE . 0.5 OUTLIER 23.71 -110.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 4.23 111.155 -179.798 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.745 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 73.2 p -99.35 17.07 21.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.367 . . . . 4.38 110.666 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.745 ' CB ' ' O ' ' A' ' 56' ' ' SER . 0.0 OUTLIER 119.23 170.86 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.839 -0.618 . . . . 6.1 110.578 -179.837 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.785 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 3.5 m120 138.22 -25.38 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.387 -0.37 . . . . 4.63 111.165 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.936 ' N ' ' HB3' ' A' ' 53' ' ' ALA . 94.2 Cg_endo -87.21 104.62 0.6 Allowed 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.68 2.253 . . . . 2.06 111.793 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.558 ' H ' ' HB ' ' A' ' 51' ' ' THR . 70.5 m -109.86 124.97 52.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.023 -0.535 . . . . 1.97 111.76 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.768 ' CG2' HD12 ' A' ' 25' ' ' LEU . 1.2 mp -101.05 120.42 50.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.966 -0.561 . . . . 0.83 109.928 178.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.928 ' O ' HG22 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -114.25 130.66 56.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.991 0.424 . . . . 1.37 111.29 -179.289 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.769 ' CE1' ' O ' ' A' ' 18' ' ' ARG . 77.7 m-70 -93.23 103.82 16.05 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.883 -0.599 . . . . 0.85 110.186 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.83 ' CZ ' HG21 ' A' ' 49' ' ' VAL . 8.7 m-30 -96.16 119.01 33.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.173 -0.467 . . . . 1.06 112.133 -179.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 1.177 ' O ' HG12 ' A' ' 78' ' ' VAL . 0.2 OUTLIER -89.35 145.09 25.59 Favored 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 120.545 -0.462 . . . . 0.85 110.152 178.324 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 1.114 HD13 ' N ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -89.53 103.77 14.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 C-N-CA 120.395 -0.522 . . . . 0.46 110.36 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 1.118 ' O ' ' HA ' ' A' ' 76' ' ' TYR . 1.5 tpmt? -66.78 150.26 49.37 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.384 -0.599 . . . . 1.87 109.384 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.782 ' CD ' ' CE1' ' A' ' 76' ' ' TYR . 2.9 mt-10 -113.91 137.98 50.94 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.78 0.675 . . . . 2.11 110.702 -179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.869 ' O ' ' N ' ' A' ' 71' ' ' ASP . 0.1 OUTLIER -145.57 100.52 3.45 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.525 -0.307 . . . . 1.19 110.683 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -40.33 68.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 2.7 111.263 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.869 ' N ' ' O ' ' A' ' 69' ' ' THR . 5.1 t70 -90.87 -152.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.408 -0.36 . . . . 3.56 110.524 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.5 p -137.93 67.22 48.96 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.44 -0.345 . . . . 2.74 111.758 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.694 ' O ' ' HB3' ' A' ' 71' ' ' ASP . 64.6 Cg_endo -97.1 -43.31 0.16 OUTLIER 'Cis proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.902 -1.291 . . . . 3.3 112.373 -0.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.812 ' HB3' ' HB ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER 4.81 79.85 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.624 -0.716 . . . . 2.79 112.02 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.806 ' O ' ' N ' ' A' ' 69' ' ' THR . 27.5 mtm180 -100.66 -49.49 4.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.439 -0.8 . . . . 3.22 111.019 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 1.118 ' HA ' ' O ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -87.8 149.33 24.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.177 0.513 . . . . 1.06 112.112 -177.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 1.054 ' HA ' HD11 ' A' ' 90' ' ' LEU . 14.3 p90 -172.4 165.23 5.78 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.503 -0.771 . . . . 1.31 111.002 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.177 HG12 ' O ' ' A' ' 65' ' ' HIS . 21.5 m -136.46 51.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.695 0.284 . . . . 1.18 111.553 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 1.165 ' HB3' ' CD ' ' A' ' 81' ' ' LYS . . . 163.62 43.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.344 -0.389 . . . . 0.64 110.642 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.83 ' HA ' ' CE2' ' A' ' 77' ' ' TYR . 5.4 mt-10 36.03 29.05 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 106.887 -1.523 . . . . 2.31 106.887 -178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 1.165 ' CD ' ' HB3' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -123.69 -169.55 1.97 Allowed 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 113.857 -1.52 . . . . 2.07 111.32 -177.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.907 ' CD1' ' HG3' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -12.73 108.85 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.006 0.432 . . . . 2.11 110.724 -179.133 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.812 ' HB ' ' HB3' ' A' ' 74' ' ' LYS . 2.7 t -105.93 145.16 14.24 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 115.85 -0.614 . . . . 1.01 109.367 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.935 ' CE1' ' CD2' ' A' ' 93' ' ' TYR . 4.4 m-85 -139.96 -174.01 3.8 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.25 -0.432 . . . . 1.27 111.595 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.541 ' OD1' ' O ' ' A' ' 85' ' ' ASP . 6.8 t0 -109.46 14.43 23.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.016 -0.538 . . . . 2.2 111.028 -179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 1.01 ' HB2' HD11 ' A' ' 89' ' ' LEU . 1.5 m -175.28 143.24 0.65 Allowed 'General case' 0 C--O 1.247 0.931 0 CA-C-O 121.851 0.834 . . . . 1.14 111.921 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.982 ' O ' HG12 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -52.71 -45.19 96.81 Favored Pre-proline 0 N--CA 1.446 -0.647 0 CA-C-N 114.94 -1.027 . . . . 0.34 109.861 179.176 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 1.056 ' HD3' HD22 ' A' ' 6' ' ' LEU . 9.5 Cg_endo -52.47 -48.99 19.0 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.153 1.902 . . . . 0.46 112.001 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.01 HD11 ' HB2' ' A' ' 86' ' ' SER . 0.0 OUTLIER -69.92 -44.76 68.97 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 106.879 -1.526 . . . . 0.79 106.879 177.433 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.097 HD13 ' CG2' ' A' ' 66' ' ' ILE . 2.2 tt -57.32 -37.4 72.45 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.275 -0.875 . . . . 0.84 109.2 177.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 1.151 HD12 ' CZ ' ' A' ' 34' ' ' PHE . 49.1 mm -79.14 -45.54 24.02 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.291 0 CA-C-N 115.583 -0.735 . . . . 0.25 109.113 178.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.678 ' N ' ' O ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -54.97 -40.4 70.0 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.476 -0.784 . . . . 1.5 109.107 178.51 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.935 ' CD2' ' CE1' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -66.38 -43.15 86.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.834 -0.621 . . . . 1.21 109.916 178.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 1.056 ' CB ' HD23 ' A' ' 105' ' ' LEU . 96.8 m-70 -69.22 -47.35 65.04 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.166 0.507 . . . . 0.55 109.736 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.742 ' HA ' ' O ' ' A' ' 105' ' ' LEU . 1.5 mt-30 -48.49 -36.59 15.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.498 -0.774 . . . . 1.81 110.769 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.709 ' O ' ' CD ' ' A' ' 104' ' ' ARG . 81.9 m-85 -105.01 -108.94 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.983 -0.553 . . . . 4.19 110.852 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.65 ' C ' ' O ' ' A' ' 96' ' ' TYR . 15.1 m-80 -2.22 -116.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 2.01 111.119 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.655 ' O ' ' N ' ' A' ' 100' ' ' GLY . . . -166.37 22.91 0.12 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.677 -0.773 . . . . 1.68 112.551 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.757 ' HA2' ' CE1' ' A' ' 82' ' ' TYR . . . -41.53 81.74 0.0 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.738 -0.744 . . . . 1.49 112.461 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.655 ' N ' ' O ' ' A' ' 98' ' ' GLY . . . 14.13 -112.21 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 1.72 112.321 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.794 ' HG ' ' CD2' ' A' ' 64' ' ' TYR . 6.9 mp 51.22 151.39 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.682 0.277 . . . . 0.74 110.944 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.779 HG21 ' HB ' ' A' ' 49' ' ' VAL . 9.4 m -20.45 -45.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.012 0.434 . . . . 1.14 110.843 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.717 ' OG1' ' HB2' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -169.92 46.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.862 -0.608 . . . . 1.06 110.467 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.709 ' CD ' ' O ' ' A' ' 96' ' ' TYR . 7.5 ptt85 40.11 66.56 0.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 2.37 111.491 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 1.056 HD23 ' CB ' ' A' ' 94' ' ' HIS . 0.4 OUTLIER 42.2 85.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.908 0.385 . . . . 0.99 110.505 179.389 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.717 ' HB2' ' OG1' ' A' ' 103' ' ' THR . 2.6 tpt85 -89.12 -29.18 19.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 2.44 111.898 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.587 ' HD2' ' HZ3' ' A' ' 30' ' ' LYS . 55.4 t80 -165.23 93.29 0.9 Allowed Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 112.086 0.402 . . . . 1.29 112.086 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.985 ' HA ' ' O ' ' A' ' 34' ' ' PHE . 10.6 Cg_endo -52.99 109.58 0.37 Allowed 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.662 2.241 . . . . 0.46 112.066 178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 1.05 HG12 ' CE ' ' A' ' 35' ' ' MET . 2.1 t -76.51 131.98 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 109.552 -0.536 . . . . 1.44 109.552 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.691 ' CB ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -123.52 84.91 2.34 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.334 0.588 . . . . 1.25 110.111 -179.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.499 ' H ' ' HE1' ' A' ' 35' ' ' MET . . . -60.2 -135.67 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.182 -0.917 . . . . 2.39 112.531 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.396 0 O-C-N 122.562 -0.375 . . . . 2.06 . . . . . . . . . . 0 0 . 1 stop_ save_