data_1nhm_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 1nhm _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' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 3.31 77.35 0.04 OUTLIER Pre-proline 0 N--CA 1.5 2.039 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_exo -32.31 159.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 124.839 3.692 . . . . 0.0 116.281 173.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -127.55 85.17 2.33 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 116.841 2.163 . . . . 0.0 116.841 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.456 ' HD2' ' H ' ' A' ' 7' ' ' ARG . 3.4 mpt_? 2.65 83.91 0.04 OUTLIER Pre-proline 0 N--CA 1.507 2.388 0 N-CA-C 116.234 1.938 . . . . 0.0 116.234 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -53.11 176.63 0.07 OUTLIER 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 124.206 3.27 . . . . 0.0 113.815 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -36.02 150.42 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 124.96 3.773 . . . . 0.0 115.732 -177.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 65.8 m -123.66 16.69 9.54 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 117.028 2.232 . . . . 0.0 117.028 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 10' ' ' SER . . . 106.94 -68.11 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.629 0 C-N-CA 126.155 1.782 . . . . 0.0 108.291 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.548 ' CZ ' ' SG ' ' A' ' 16' ' ' CYS . 14.5 t80 -52.2 -47.32 65.67 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 112.719 -2.037 . . . . 0.0 107.503 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -36.01 -46.4 0.48 Allowed 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 113.543 -1.662 . . . . 0.0 114.72 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.436 HD23 ' H ' ' A' ' 14' ' ' LEU . 2.3 mm? -62.66 -61.42 2.43 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 123.528 1.632 . . . . 0.0 110.306 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -46.13 -44.56 15.84 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 110.771 -2.922 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.548 ' SG ' ' CZ ' ' A' ' 12' ' ' PHE . 85.7 m -51.44 -59.43 4.25 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 111.997 -2.365 . . . . 0.0 110.064 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.7 m -49.98 -57.09 8.28 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 112.25 -2.25 . . . . 0.0 112.295 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -45.8 -43.77 13.52 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 112.821 -1.991 . . . . 0.0 115.213 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.402 ' CB ' HD22 ' A' ' 39' ' ' LEU . 40.0 m-85 -96.83 -35.87 10.8 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 118.697 2.851 . . . . 0.0 118.697 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.416 ' HB3' ' CD ' ' A' ' 21' ' ' PRO . 19.4 ttp85 -33.95 -66.13 0.23 Allowed Pre-proline 0 N--CA 1.5 2.057 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.431 ' HG2' ' HZ1' ' A' ' 22' ' ' LYS . 81.6 Cg_endo -61.52 -17.9 56.54 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 123.942 3.095 . . . . 0.0 113.779 -177.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.431 ' HZ1' ' HG2' ' A' ' 21' ' ' PRO . 46.9 mmtm -83.69 -55.09 4.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 123.968 0.793 . . . . 0.0 109.527 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -46.96 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -56.81 -31.89 65.16 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.291 0.994 . . . . 0.0 108.72 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.0 -36.62 81.92 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -93.92 -23.37 18.11 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 112.189 -2.005 . . . . 0.0 109.967 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.487 ' C ' ' H ' ' A' ' 29' ' ' GLY . 61.2 m-70 -113.86 62.59 1.05 Allowed Pre-proline 0 N--CA 1.491 1.586 0 CA-C-N 112.772 -2.013 . . . . 0.0 112.432 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -79.33 36.48 0.61 Allowed 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.542 2.162 . . . . 0.0 110.078 169.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 27' ' ' HIS . . . -129.4 -10.83 2.89 Favored Glycine 0 N--CA 1.484 1.878 0 N-CA-C 107.826 -2.11 . . . . 0.0 107.826 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.5 mt -105.2 176.99 4.98 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 122.243 1.02 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.562 ' C ' ' H ' ' A' ' 33' ' ' GLY . 56.7 m -122.32 176.89 5.62 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 112.292 -2.231 . . . . 0.0 105.985 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 tt -83.61 22.19 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-O 123.849 1.785 . . . . 0.0 110.479 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.562 ' H ' ' C ' ' A' ' 31' ' ' SER . . . -118.67 -27.69 2.27 Favored Glycine 0 N--CA 1.482 1.76 0 CA-C-N 110.501 -3.045 . . . . 0.0 108.625 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -107.38 -46.61 3.82 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.22 -28.72 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 N-CA-C 103.427 -2.805 . . . . 0.0 103.427 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.07 -43.1 30.16 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 112.509 -2.132 . . . . 0.0 106.683 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -49.54 -48.81 48.14 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -52.45 -55.4 22.14 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 113.359 -1.746 . . . . 0.0 107.559 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' A' ' 16' ' ' CYS . 84.5 mt -49.66 -53.42 24.51 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.477 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . -37.21 -37.69 0.3 Allowed Glycine 0 N--CA 1.502 3.065 0 O-C-N 125.885 1.991 . . . . 0.0 112.168 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -90.02 -60.64 1.88 Allowed 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 112.857 -1.672 . . . . 0.0 109.781 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 56.6 mtm -39.32 -40.58 0.8 Allowed 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.455 ' CZ2' ' HD2' ' A' ' 51' ' ' LYS . 59.2 t-105 -54.67 -33.61 61.05 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -84.59 -29.39 25.86 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 105.212 -2.144 . . . . 0.0 105.212 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -94.08 26.79 3.09 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 112.55 -2.114 . . . . 0.0 111.584 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -97.66 -150.07 0.34 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -111.03 20.32 17.58 Favored 'General case' 0 N--CA 1.508 2.426 0 N-CA-C 119.57 3.174 . . . . 0.0 119.57 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 32.18 25.25 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.22 0 CA-C-O 123.955 1.836 . . . . 0.0 115.394 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' ALA . 7.1 t70 -127.74 -35.4 2.11 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 110.07 -3.241 . . . . 0.0 102.329 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -88.32 -9.28 53.32 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 111.632 -2.531 . . . . 0.0 109.809 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.455 ' HD2' ' CZ2' ' A' ' 43' ' ' TRP . 49.8 mtmt -85.4 -44.78 12.48 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 104.714 -2.328 . . . . 0.0 104.714 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.422 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 90.8 mm-40 -27.31 -56.59 0.22 Allowed Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 125.918 2.011 . . . . 0.0 114.1 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 52' ' ' GLN . 37.7 Cg_endo -53.77 -58.86 1.15 Allowed 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.973 1.782 . . . . 0.0 111.459 177.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -51.4 -47.06 63.02 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.693 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -55.89 -59.97 4.14 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 124.608 1.193 . . . . 0.0 110.637 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -44.12 -40.65 5.1 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.17 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -67.05 -64.33 0.88 Allowed 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -40.48 -45.94 2.35 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 124.089 0.868 . . . . 0.0 111.688 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.29 -64.62 0.88 Allowed 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -41.05 -51.72 3.29 Favored 'General case' 0 N--CA 1.504 2.253 0 CA-C-O 122.516 1.151 . . . . 0.0 110.641 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 mt -58.82 -61.82 2.34 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 113.878 -1.51 . . . . 0.0 113.196 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 63.5 pttt -58.12 -34.38 70.15 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -55.17 -58.6 7.02 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -43.26 -54.44 4.56 Favored 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.4 ' HB3' ' O ' ' A' ' 62' ' ' LYS . 15.6 t80 -49.02 -68.19 0.2 Allowed 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.252 -1.795 . . . . 0.0 109.901 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -39.43 -27.44 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -88.9 -44.81 10.18 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.595 -0.842 . . . . 0.0 112.058 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.42 -20.13 60.16 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 124.157 0.911 . . . . 0.0 109.972 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -44.29 19.62 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 104.763 -2.31 . . . . 0.0 104.763 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.41 -26.11 67.84 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.62 -18.71 40.22 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.079 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -105.95 -7.56 18.09 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 124.238 0.961 . . . . 0.0 109.646 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -99.37 -37.9 9.05 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.85 37.94 1.44 Allowed 'General case' 0 N--CA 1.485 1.287 0 O-C-N 124.257 0.973 . . . . 0.0 109.837 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -117.61 163.71 16.04 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.864 -1.062 . . . . 0.0 108.715 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.39 35.22 60.08 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 107.292 -2.323 . . . . 0.0 107.292 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.42 ' H ' ' CD ' ' A' ' 78' ' ' PRO . 9.2 mtpm? -120.34 -40.86 0.05 OUTLIER Pre-proline 0 N--CA 1.489 1.518 0 CA-C-N 113.329 -1.436 . . . . 0.0 112.973 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.42 ' CD ' ' H ' ' A' ' 77' ' ' LYS . 65.4 Cg_exo -48.35 -47.79 18.95 Favored 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.111 1.874 . . . . 0.0 109.404 171.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.488 ' HA ' ' CB ' ' A' ' 80' ' ' ALA . 33.5 t70 85.44 61.55 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 126.394 2.309 . . . . 0.0 108.222 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 79' ' ' ASP . . . 152.27 58.65 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.772 1 C-N-CA 133.154 4.582 . . . . 0.0 104.754 0.14 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.747 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.611 -179.862 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 3.31 77.35 0.04 OUTLIER Pre-proline 0 N--CA 1.5 2.039 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_exo -32.31 159.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 124.839 3.692 . . . . 0.0 116.281 173.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -127.55 85.17 2.33 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 116.841 2.163 . . . . 0.0 116.841 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.562 ' HD2' ' H ' ' A' ' 7' ' ' ARG . 3.4 mpt_? 2.65 83.91 0.04 OUTLIER Pre-proline 0 N--CA 1.507 2.388 0 N-CA-C 116.234 1.938 . . . . 0.0 116.234 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -53.11 176.63 0.07 OUTLIER 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 124.206 3.27 . . . . 0.0 113.815 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -36.02 150.42 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 124.96 3.773 . . . . 0.0 115.732 -177.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 65.8 m -123.66 16.69 9.54 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 117.028 2.232 . . . . 0.0 117.028 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 10' ' ' SER . . . 106.94 -68.11 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.629 0 C-N-CA 126.155 1.782 . . . . 0.0 108.291 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.548 ' CZ ' ' SG ' ' A' ' 16' ' ' CYS . 14.5 t80 -52.2 -47.32 65.67 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 112.719 -2.037 . . . . 0.0 107.503 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -36.01 -46.4 0.48 Allowed 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 113.543 -1.662 . . . . 0.0 114.72 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.549 ' H ' HD22 ' A' ' 14' ' ' LEU . 2.3 mm? -62.66 -61.42 2.43 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 123.528 1.632 . . . . 0.0 110.306 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -46.13 -44.56 15.84 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 110.771 -2.922 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.548 ' SG ' ' CZ ' ' A' ' 12' ' ' PHE . 85.7 m -51.44 -59.43 4.25 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 111.997 -2.365 . . . . 0.0 110.064 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.7 m -49.98 -57.09 8.28 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 112.25 -2.25 . . . . 0.0 112.295 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -45.8 -43.77 13.52 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 112.821 -1.991 . . . . 0.0 115.213 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.447 ' CB ' HD21 ' A' ' 39' ' ' LEU . 40.0 m-85 -96.83 -35.87 10.8 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 118.697 2.851 . . . . 0.0 118.697 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.5 ' HB3' ' CD ' ' A' ' 21' ' ' PRO . 19.4 ttp85 -33.95 -66.13 0.23 Allowed Pre-proline 0 N--CA 1.5 2.057 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.5 ' CD ' ' HB3' ' A' ' 20' ' ' ARG . 81.6 Cg_endo -61.52 -17.9 56.54 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 123.942 3.095 . . . . 0.0 113.779 -177.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -83.69 -55.09 4.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 123.968 0.793 . . . . 0.0 109.527 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -46.96 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -56.81 -31.89 65.16 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.291 0.994 . . . . 0.0 108.72 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.0 -36.62 81.92 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -93.92 -23.37 18.11 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 112.189 -2.005 . . . . 0.0 109.967 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.487 ' C ' ' H ' ' A' ' 29' ' ' GLY . 31.7 m80 -113.86 62.59 1.05 Allowed Pre-proline 0 N--CA 1.491 1.586 0 CA-C-N 112.772 -2.013 . . . . 0.0 112.432 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -79.33 36.48 0.61 Allowed 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.542 2.162 . . . . 0.0 110.078 169.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 27' ' ' HIS . . . -129.4 -10.83 2.89 Favored Glycine 0 N--CA 1.484 1.878 0 N-CA-C 107.826 -2.11 . . . . 0.0 107.826 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.5 mt -105.2 176.99 4.98 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 122.243 1.02 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.539 ' C ' ' H ' ' A' ' 33' ' ' GLY . 56.7 m -122.32 176.89 5.62 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 112.292 -2.231 . . . . 0.0 105.985 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 tt -83.61 22.19 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-O 123.849 1.785 . . . . 0.0 110.479 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' A' ' 31' ' ' SER . . . -118.67 -27.69 2.27 Favored Glycine 0 N--CA 1.482 1.76 0 CA-C-N 110.501 -3.045 . . . . 0.0 108.625 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -107.38 -46.61 3.82 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.22 -28.72 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 N-CA-C 103.427 -2.805 . . . . 0.0 103.427 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.07 -43.1 30.16 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 112.509 -2.132 . . . . 0.0 106.683 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -49.54 -48.81 48.14 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -52.45 -55.4 22.14 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 113.359 -1.746 . . . . 0.0 107.559 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 16' ' ' CYS . 84.5 mt -49.66 -53.42 24.51 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.491 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . -37.21 -37.69 0.3 Allowed Glycine 0 N--CA 1.502 3.065 0 O-C-N 125.885 1.991 . . . . 0.0 112.168 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -90.02 -60.64 1.88 Allowed 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 112.857 -1.672 . . . . 0.0 109.781 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 56.6 mtm -39.32 -40.58 0.8 Allowed 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.499 ' CZ2' ' HD2' ' A' ' 51' ' ' LYS . 59.2 t-105 -54.67 -33.61 61.05 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -84.59 -29.39 25.86 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 105.212 -2.144 . . . . 0.0 105.212 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -94.08 26.79 3.09 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 112.55 -2.114 . . . . 0.0 111.584 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -97.66 -150.07 0.34 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -111.03 20.32 17.58 Favored 'General case' 0 N--CA 1.508 2.426 0 N-CA-C 119.57 3.174 . . . . 0.0 119.57 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 32.18 25.25 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.22 0 CA-C-O 123.955 1.836 . . . . 0.0 115.394 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' ALA . 7.1 t70 -127.74 -35.4 2.11 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 110.07 -3.241 . . . . 0.0 102.329 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -88.32 -9.28 53.32 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 111.632 -2.531 . . . . 0.0 109.809 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.499 ' HD2' ' CZ2' ' A' ' 43' ' ' TRP . 49.8 mtmt -85.4 -44.78 12.48 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 104.714 -2.328 . . . . 0.0 104.714 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.429 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 90.8 mm-40 -27.31 -56.59 0.22 Allowed Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 125.918 2.011 . . . . 0.0 114.1 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 52' ' ' GLN . 37.7 Cg_endo -53.77 -58.86 1.15 Allowed 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.973 1.782 . . . . 0.0 111.459 177.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -51.4 -47.06 63.02 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.693 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 38.5 mt-10 -55.89 -59.97 4.14 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 124.608 1.193 . . . . 0.0 110.637 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -44.12 -40.65 5.1 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.17 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -67.05 -64.33 0.88 Allowed 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -40.48 -45.94 2.35 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 124.089 0.868 . . . . 0.0 111.688 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.29 -64.62 0.88 Allowed 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -41.05 -51.72 3.29 Favored 'General case' 0 N--CA 1.504 2.253 0 CA-C-O 122.516 1.151 . . . . 0.0 110.641 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 mt -58.82 -61.82 2.34 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 113.878 -1.51 . . . . 0.0 113.196 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 63.5 pttt -58.12 -34.38 70.15 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -55.17 -58.6 7.02 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -43.26 -54.44 4.56 Favored 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.466 ' HB3' ' O ' ' A' ' 62' ' ' LYS . 15.6 t80 -49.02 -68.19 0.2 Allowed 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.252 -1.795 . . . . 0.0 109.901 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -39.43 -27.44 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -88.9 -44.81 10.18 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.595 -0.842 . . . . 0.0 112.058 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.42 -20.13 60.16 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 124.157 0.911 . . . . 0.0 109.972 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -44.29 19.62 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 104.763 -2.31 . . . . 0.0 104.763 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.41 -26.11 67.84 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.62 -18.71 40.22 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.079 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -105.95 -7.56 18.09 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 124.238 0.961 . . . . 0.0 109.646 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -99.37 -37.9 9.05 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.85 37.94 1.44 Allowed 'General case' 0 N--CA 1.485 1.287 0 O-C-N 124.257 0.973 . . . . 0.0 109.837 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -117.61 163.71 16.04 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.864 -1.062 . . . . 0.0 108.715 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.39 35.22 60.08 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 107.292 -2.323 . . . . 0.0 107.292 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.511 ' H ' ' CD ' ' A' ' 78' ' ' PRO . 9.2 mtpm? -120.34 -40.86 0.05 OUTLIER Pre-proline 0 N--CA 1.489 1.518 0 CA-C-N 113.329 -1.436 . . . . 0.0 112.973 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.511 ' CD ' ' H ' ' A' ' 77' ' ' LYS . 65.4 Cg_exo -48.35 -47.79 18.95 Favored 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.111 1.874 . . . . 0.0 109.404 171.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.53 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 33.5 t70 85.44 61.55 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 126.394 2.309 . . . . 0.0 108.222 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.53 ' HB2' ' HA ' ' A' ' 79' ' ' ASP . . . 152.27 58.65 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.772 1 C-N-CA 133.154 4.582 . . . . 0.0 104.754 0.14 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.747 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.611 -179.862 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 3.31 77.35 0.04 OUTLIER Pre-proline 0 N--CA 1.5 2.039 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_exo -32.31 159.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 124.839 3.692 . . . . 0.0 116.281 173.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -127.55 85.17 2.33 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 116.841 2.163 . . . . 0.0 116.841 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.562 ' HD2' ' H ' ' A' ' 7' ' ' ARG . 3.4 mpt_? 2.65 83.91 0.04 OUTLIER Pre-proline 0 N--CA 1.507 2.388 0 N-CA-C 116.234 1.938 . . . . 0.0 116.234 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -53.11 176.63 0.07 OUTLIER 'Trans proline' 0 N--CA 1.5 1.868 0 C-N-CA 124.206 3.27 . . . . 0.0 113.815 176.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -36.02 150.42 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 124.96 3.773 . . . . 0.0 115.732 -177.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.43 ' O ' ' CB ' ' A' ' 11' ' ' ALA . 65.8 m -123.66 16.69 9.54 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 117.028 2.232 . . . . 0.0 117.028 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 10' ' ' SER . . . 106.94 -68.11 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.629 0 C-N-CA 126.155 1.782 . . . . 0.0 108.291 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.548 ' CZ ' ' SG ' ' A' ' 16' ' ' CYS . 14.5 t80 -52.2 -47.32 65.67 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 112.719 -2.037 . . . . 0.0 107.503 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -36.01 -46.4 0.48 Allowed 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 113.543 -1.662 . . . . 0.0 114.72 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.549 ' H ' HD22 ' A' ' 14' ' ' LEU . 2.3 mm? -62.66 -61.42 2.43 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 123.528 1.632 . . . . 0.0 110.306 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -46.13 -44.56 15.84 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-N 110.771 -2.922 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.548 ' SG ' ' CZ ' ' A' ' 12' ' ' PHE . 85.7 m -51.44 -59.43 4.25 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 111.997 -2.365 . . . . 0.0 110.064 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.7 m -49.98 -57.09 8.28 Favored 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 112.25 -2.25 . . . . 0.0 112.295 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -45.8 -43.77 13.52 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-N 112.821 -1.991 . . . . 0.0 115.213 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.447 ' CB ' HD21 ' A' ' 39' ' ' LEU . 40.0 m-85 -96.83 -35.87 10.8 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 118.697 2.851 . . . . 0.0 118.697 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.5 ' HB3' ' CD ' ' A' ' 21' ' ' PRO . 19.4 ttp85 -33.95 -66.13 0.23 Allowed Pre-proline 0 N--CA 1.5 2.057 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.5 ' CD ' ' HB3' ' A' ' 20' ' ' ARG . 81.6 Cg_endo -61.52 -17.9 56.54 Favored 'Trans proline' 0 N--CA 1.495 1.598 0 C-N-CA 123.942 3.095 . . . . 0.0 113.779 -177.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -83.69 -55.09 4.46 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 123.968 0.793 . . . . 0.0 109.527 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -46.96 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -56.81 -31.89 65.16 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 124.291 0.994 . . . . 0.0 108.72 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.0 -36.62 81.92 Favored Glycine 0 N--CA 1.494 2.558 0 N-CA-C 109.306 -1.518 . . . . 0.0 109.306 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -93.92 -23.37 18.11 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-N 112.189 -2.005 . . . . 0.0 109.967 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.487 ' C ' ' H ' ' A' ' 29' ' ' GLY . 61.2 m-70 -113.86 62.59 1.05 Allowed Pre-proline 0 N--CA 1.491 1.586 0 CA-C-N 112.772 -2.013 . . . . 0.0 112.432 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -79.33 36.48 0.61 Allowed 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.542 2.162 . . . . 0.0 110.078 169.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 27' ' ' HIS . . . -129.4 -10.83 2.89 Favored Glycine 0 N--CA 1.484 1.878 0 N-CA-C 107.826 -2.11 . . . . 0.0 107.826 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 73.5 mt -105.2 176.99 4.98 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 122.243 1.02 . . . . 0.0 110.833 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.539 ' C ' ' H ' ' A' ' 33' ' ' GLY . 56.7 m -122.32 176.89 5.62 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 112.292 -2.231 . . . . 0.0 105.985 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.9 tt -83.61 22.19 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-O 123.849 1.785 . . . . 0.0 110.479 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' A' ' 31' ' ' SER . . . -118.67 -27.69 2.27 Favored Glycine 0 N--CA 1.482 1.76 0 CA-C-N 110.501 -3.045 . . . . 0.0 108.625 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -107.38 -46.61 3.82 Favored 'General case' 0 N--CA 1.494 1.761 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.22 -28.72 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 N-CA-C 103.427 -2.805 . . . . 0.0 103.427 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.07 -43.1 30.16 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 112.509 -2.132 . . . . 0.0 106.683 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -49.54 -48.81 48.14 Favored 'General case' 0 N--CA 1.504 2.232 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -52.45 -55.4 22.14 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 113.359 -1.746 . . . . 0.0 107.559 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' ' 16' ' ' CYS . 84.5 mt -49.66 -53.42 24.51 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.491 ' HA2' ' CZ ' ' A' ' 12' ' ' PHE . . . -37.21 -37.69 0.3 Allowed Glycine 0 N--CA 1.502 3.065 0 O-C-N 125.885 1.991 . . . . 0.0 112.168 179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -90.02 -60.64 1.88 Allowed 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 112.857 -1.672 . . . . 0.0 109.781 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 56.6 mtm -39.32 -40.58 0.8 Allowed 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.499 ' CZ2' ' HD2' ' A' ' 51' ' ' LYS . 59.2 t-105 -54.67 -33.61 61.05 Favored 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -84.59 -29.39 25.86 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 105.212 -2.144 . . . . 0.0 105.212 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -94.08 26.79 3.09 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 112.55 -2.114 . . . . 0.0 111.584 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -97.66 -150.07 0.34 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 103.658 -2.719 . . . . 0.0 103.658 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 49' ' ' ASP . . . -111.03 20.32 17.58 Favored 'General case' 0 N--CA 1.508 2.426 0 N-CA-C 119.57 3.174 . . . . 0.0 119.57 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 32.18 25.25 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.22 0 CA-C-O 123.955 1.836 . . . . 0.0 115.394 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' ALA . 7.1 t70 -127.74 -35.4 2.11 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 110.07 -3.241 . . . . 0.0 102.329 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -88.32 -9.28 53.32 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 111.632 -2.531 . . . . 0.0 109.809 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.499 ' HD2' ' CZ2' ' A' ' 43' ' ' TRP . 49.8 mtmt -85.4 -44.78 12.48 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 104.714 -2.328 . . . . 0.0 104.714 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.429 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 90.8 mm-40 -27.31 -56.59 0.22 Allowed Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 125.918 2.011 . . . . 0.0 114.1 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 52' ' ' GLN . 37.7 Cg_endo -53.77 -58.86 1.15 Allowed 'Trans proline' 0 N--CA 1.49 1.282 0 C-N-CA 121.973 1.782 . . . . 0.0 111.459 177.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -51.4 -47.06 63.02 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.693 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 38.5 mt-10 -55.89 -59.97 4.14 Favored 'General case' 0 N--CA 1.484 1.25 0 O-C-N 124.608 1.193 . . . . 0.0 110.637 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -44.12 -40.65 5.1 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 120.076 -0.65 . . . . 0.0 111.17 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -67.05 -64.33 0.88 Allowed 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -40.48 -45.94 2.35 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 124.089 0.868 . . . . 0.0 111.688 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.29 -64.62 0.88 Allowed 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -41.05 -51.72 3.29 Favored 'General case' 0 N--CA 1.504 2.253 0 CA-C-O 122.516 1.151 . . . . 0.0 110.641 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 65.4 mt -58.82 -61.82 2.34 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 113.878 -1.51 . . . . 0.0 113.196 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 65' ' ' TYR . 63.5 pttt -58.12 -34.38 70.15 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.387 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -55.17 -58.6 7.02 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -43.26 -54.44 4.56 Favored 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.466 ' HB3' ' O ' ' A' ' 62' ' ' LYS . 15.6 t80 -49.02 -68.19 0.2 Allowed 'General case' 0 N--CA 1.494 1.755 0 CA-C-N 113.252 -1.795 . . . . 0.0 109.901 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -39.43 -27.44 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 115.466 1.654 . . . . 0.0 115.466 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -88.9 -44.81 10.18 Favored 'General case' 0 N--CA 1.493 1.678 0 C-N-CA 119.595 -0.842 . . . . 0.0 112.058 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -74.42 -20.13 60.16 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 124.157 0.911 . . . . 0.0 109.972 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -82.23 -44.29 19.62 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 104.763 -2.31 . . . . 0.0 104.763 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.41 -26.11 67.84 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.62 -18.71 40.22 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.079 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -105.95 -7.56 18.09 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 124.238 0.961 . . . . 0.0 109.646 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -99.37 -37.9 9.05 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.85 37.94 1.44 Allowed 'General case' 0 N--CA 1.485 1.287 0 O-C-N 124.257 0.973 . . . . 0.0 109.837 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -117.61 163.71 16.04 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 114.864 -1.062 . . . . 0.0 108.715 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.39 35.22 60.08 Favored Glycine 0 N--CA 1.49 2.283 0 N-CA-C 107.292 -2.323 . . . . 0.0 107.292 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.511 ' H ' ' CD ' ' A' ' 78' ' ' PRO . 9.2 mtpm? -120.34 -40.86 0.05 OUTLIER Pre-proline 0 N--CA 1.489 1.518 0 CA-C-N 113.329 -1.436 . . . . 0.0 112.973 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.511 ' CD ' ' H ' ' A' ' 77' ' ' LYS . 65.4 Cg_exo -48.35 -47.79 18.95 Favored 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.111 1.874 . . . . 0.0 109.404 171.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.53 ' HA ' ' HB2' ' A' ' 80' ' ' ALA . 33.5 t70 85.44 61.55 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 126.394 2.309 . . . . 0.0 108.222 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.53 ' HB2' ' HA ' ' A' ' 79' ' ' ASP . . . 152.27 58.65 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.772 1 C-N-CA 133.154 4.582 . . . . 0.0 104.754 0.14 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.747 0 CA-C-N 113.981 -1.463 . . . . 0.0 111.611 -179.862 . . . . . . . . 0 0 . 1 stop_ save_