data_1mkn_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 1mkn _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 1' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.512 ' NZ ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -139.47 97.67 3.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.428 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -93.65 46.41 1.19 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.241 -0.912 . . . . 0.0 109.36 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 6' ' ' VAL . 33.1 m-20 44.58 45.3 7.8 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.915 . . . . 0.0 109.094 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.512 ' HD3' ' NZ ' ' A' ' 2' ' ' LYS . 6.4 ptmt -47.35 90.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.431 -0.793 . . . . 0.0 109.996 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.592 HG21 ' CZ ' ' A' ' 34' ' ' PHE . 1.5 p -78.69 -15.08 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.14 -0.975 . . . . 0.0 108.781 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.663 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 16.4 pttp -80.87 120.97 25.39 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.594 ' N ' ' HD3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 57.03 151.86 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.548 0.689 . . . . 0.0 110.284 -179.477 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.73 -13.89 2.43 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -179.54 144.07 5.94 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -78.25 -90.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.538 0 C-N-CA 122.641 2.227 . . . . 0.0 110.509 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.71 95.38 0.09 OUTLIER Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.418 ' O ' ' CD ' ' A' ' 14' ' ' GLU . 99.5 p -126.92 126.78 43.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.229 -1.159 . . . . 0.0 109.368 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 0.2 OUTLIER -172.24 145.66 1.76 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.215 -0.928 . . . . 0.0 109.413 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 18' ' ' TRP . 1.8 m 63.46 78.33 0.29 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.427 -0.796 . . . . 0.0 109.651 -179.943 -90.016 154.372 20.15 104.333 2.024 106.037 112.093 136.601 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -46.08 -57.09 4.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.011 -1.056 . . . . 0.0 108.689 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.531 ' O ' ' O ' ' A' ' 18' ' ' TRP . 87.0 mt-10 -52.65 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.775 ' CD1' ' CD1' ' A' ' 20' ' ' TRP . 0.8 OUTLIER 57.35 125.53 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.078 177.118 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.552 ' O ' ' HA3' ' A' ' 37' ' ' GLY . . . -57.2 88.84 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 176.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.775 ' CD1' ' CD1' ' A' ' 18' ' ' TRP . 25.8 m95 -101.19 101.77 12.55 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.718 -1.239 . . . . 0.0 111.317 -176.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 35' ' ' ARG . . . -59.13 166.48 8.12 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 107.393 -2.283 . . . . 0.0 107.393 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.52 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 32.5 Cg_endo -69.63 176.2 6.99 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.485 2.124 . . . . 0.0 111.39 -178.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 34' ' ' PHE . 32.8 m -79.79 174.73 11.29 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.677 0.751 . . . . 0.0 110.437 -178.762 -50.391 -170.735 132.971 104.249 2.02 104.279 -142.4 100.866 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -158.97 132.15 4.71 Favored Pre-proline 0 C--N 1.303 -1.448 0 N-CA-C 108.669 -0.864 . . . . 0.0 108.669 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 33.0 Cg_endo -76.15 76.75 3.72 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.149 1.899 . . . . 0.0 110.267 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.45 -23.06 0.54 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.467 -0.771 . . . . 0.0 109.809 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 28' ' ' LYS . 3.5 m -119.09 -97.41 0.46 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.093 -1.004 . . . . 0.0 109.732 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 25' ' ' PRO . 5.0 mmtt -61.73 -132.72 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.107 -0.996 . . . . 0.0 109.464 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' OD2' ' CB ' ' A' ' 54' ' ' TRP . 1.1 t0 -134.48 21.41 3.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.923 -1.111 . . . . 0.0 109.589 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER 178.41 -104.72 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.252 -0.905 . . . . 0.0 109.276 179.69 31.411 158.973 81.26 104.313 2.021 104.228 -44.629 -64.669 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.494 ' C ' ' O ' ' A' ' 30' ' ' CYS . . . 33.98 -92.51 0.01 OUTLIER Glycine 0 N--CA 1.498 2.797 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.57 ' N ' ' O ' ' A' ' 30' ' ' CYS . 0.4 OUTLIER -101.37 143.19 14.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 177.807 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' O ' ' SG ' ' A' ' 48' ' ' CYS . . . -162.08 105.46 0.26 Allowed Glycine 0 N--CA 1.49 2.248 0 C-N-CA 119.168 -1.491 . . . . 0.0 109.811 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.663 ' CE2' ' HA ' ' A' ' 7' ' ' LYS . 7.9 p90 -91.52 146.59 23.66 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.466 -1.02 . . . . 0.0 112.025 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.624 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.0 OUTLIER -86.36 -179.04 6.6 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 176.059 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -161.6 133.91 5.86 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 117.666 -1.614 . . . . 0.0 111.096 -178.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.552 ' HA3' ' O ' ' A' ' 19' ' ' ALA . . . -173.09 -141.56 3.53 Favored Glycine 0 N--CA 1.484 1.838 0 C-N-CA 117.375 -2.345 . . . . 0.0 113.23 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.562 ' CG2' ' OG1' ' A' ' 43' ' ' THR . 58.9 p -142.15 158.53 43.64 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.721 -0.87 . . . . 0.0 110.833 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.662 ' CB ' ' CE3' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -120.96 -66.9 1.01 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.805 136.601 112.093 20.15 106.037 2.024 104.333 154.372 -90.016 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.602 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -140.61 -77.18 0.05 OUTLIER Glycine 0 N--CA 1.49 2.299 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.67 17.87 15.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.327 -1.102 . . . . 0.0 108.623 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.612 ' O ' ' CB ' ' A' ' 43' ' ' THR . 24.6 mt-30 -114.99 -142.25 0.38 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.48 -0.763 . . . . 0.0 109.551 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.612 ' CB ' ' O ' ' A' ' 42' ' ' GLN . 1.9 m 141.71 144.77 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.228 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 43' ' ' THR . 0.1 OUTLIER 165.24 -167.12 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.771 -1.206 . . . . 0.0 110.318 179.355 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.499 ' O ' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -125.43 162.45 24.82 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 122.211 1.005 . . . . 0.0 110.3 -178.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.692 ' CD1' ' CZ3' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -151.26 137.63 12.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 179.455 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.605 ' HA ' ' CA ' ' A' ' 34' ' ' PHE . 13.3 mtm180 -67.55 173.43 4.16 Favored 'General case' 0 C--N 1.278 -2.532 0 CA-C-O 123.107 1.432 . . . . 0.0 113.605 -176.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.5 OUTLIER -174.35 132.77 0.39 Allowed 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.787 -1.551 . . . . 0.0 107.457 179.937 100.866 -142.4 132.971 104.279 2.02 104.249 -170.735 -50.391 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -59.88 161.93 6.0 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.837 -1.165 . . . . 0.0 110.478 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.513 ' HB ' ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -142.63 131.28 11.67 Favored Pre-proline 0 N--CA 1.491 1.593 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 52' ' ' CYS . 35.8 Cg_endo -79.17 35.77 0.58 Allowed 'Trans proline' 0 C--N 1.314 -1.256 0 C-N-CA 122.765 2.31 . . . . 0.0 112.141 -178.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.509 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . 88.1 m 39.19 60.49 1.48 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.144 -0.972 . . . . 0.0 110.157 179.235 -64.669 -44.629 81.26 104.228 2.021 104.313 158.973 31.411 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.497 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -92.76 33.71 1.13 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 0.0 109.31 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 20.1 p-90 -44.84 -36.41 3.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.188 -0.945 . . . . 0.0 110.071 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -108.05 -10.29 15.49 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.889 -1.132 . . . . 0.0 110.313 -179.627 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.598 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER 65.77 2.52 2.16 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.472 -0.767 . . . . 0.0 109.991 -179.188 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.598 ' CB ' ' O ' ' A' ' 56' ' ' LYS . 4.3 mt-10 148.31 95.4 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -75.14 81.11 2.29 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.102 -0.999 . . . . 0.0 109.404 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.431 0 CA-C-O 118.058 -1.412 . . . . 0.0 109.814 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 1' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.54 ' NZ ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -139.47 97.67 3.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.428 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -93.65 46.41 1.19 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.241 -0.912 . . . . 0.0 109.36 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 6' ' ' VAL . 33.1 m-20 44.58 45.3 7.8 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.915 . . . . 0.0 109.094 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.54 ' HD3' ' NZ ' ' A' ' 2' ' ' LYS . 6.4 ptmt -47.35 90.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.431 -0.793 . . . . 0.0 109.996 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.791 HG22 ' CZ ' ' A' ' 34' ' ' PHE . 1.5 p -78.69 -15.08 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.14 -0.975 . . . . 0.0 108.781 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.672 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 16.4 pttp -80.87 120.97 25.39 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.607 ' N ' ' HD3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 57.03 151.86 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.548 0.689 . . . . 0.0 110.284 -179.477 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.73 -13.89 2.43 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.406 ' HA2' ' HD3' ' A' ' 11' ' ' PRO . . . -179.54 144.07 5.94 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.406 ' HD3' ' HA2' ' A' ' 10' ' ' GLY . 36.0 Cg_endo -78.25 -90.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.538 0 C-N-CA 122.641 2.227 . . . . 0.0 110.509 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.71 95.38 0.09 OUTLIER Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.418 ' O ' ' CD ' ' A' ' 14' ' ' GLU . 99.5 p -126.92 126.78 43.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.229 -1.159 . . . . 0.0 109.368 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 0.2 OUTLIER -172.24 145.66 1.76 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.215 -0.928 . . . . 0.0 109.413 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.564 ' HB3' ' HB2' ' A' ' 18' ' ' TRP . 1.8 m 63.46 78.33 0.29 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.427 -0.796 . . . . 0.0 109.651 -179.943 -90.016 154.372 20.15 104.333 2.024 106.037 112.093 136.601 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -46.08 -57.09 4.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.011 -1.056 . . . . 0.0 108.689 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.531 ' O ' ' O ' ' A' ' 18' ' ' TRP . 87.0 mt-10 -52.65 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.775 ' CD1' ' CD1' ' A' ' 20' ' ' TRP . 0.8 OUTLIER 57.35 125.53 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.078 177.118 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.57 ' O ' ' HA3' ' A' ' 37' ' ' GLY . . . -57.2 88.84 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 176.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.975 ' CZ3' HD12 ' A' ' 46' ' ' ILE . 25.8 m95 -101.19 101.77 12.55 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.718 -1.239 . . . . 0.0 111.317 -176.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 35' ' ' ARG . . . -59.13 166.48 8.12 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 107.393 -2.283 . . . . 0.0 107.393 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.552 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 32.5 Cg_endo -69.63 176.2 6.99 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.485 2.124 . . . . 0.0 111.39 -178.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 34' ' ' PHE . 32.8 m -79.79 174.73 11.29 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.677 0.751 . . . . 0.0 110.437 -178.762 -50.391 -170.735 132.971 104.249 2.02 104.279 -142.4 100.866 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.451 ' O ' HG22 ' A' ' 24' ' ' THR . 0.4 OUTLIER -158.97 132.15 4.71 Favored Pre-proline 0 C--N 1.303 -1.448 0 N-CA-C 108.669 -0.864 . . . . 0.0 108.669 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.495 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 33.0 Cg_endo -76.15 76.75 3.72 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.149 1.899 . . . . 0.0 110.267 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.45 -23.06 0.54 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.467 -0.771 . . . . 0.0 109.809 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 28' ' ' LYS . 3.5 m -119.09 -97.41 0.46 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.093 -1.004 . . . . 0.0 109.732 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 25' ' ' PRO . 5.0 mmtt -61.73 -132.72 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.107 -0.996 . . . . 0.0 109.464 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' OD2' ' CB ' ' A' ' 54' ' ' TRP . 1.1 t0 -134.48 21.41 3.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.923 -1.111 . . . . 0.0 109.589 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER 178.41 -104.72 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.252 -0.905 . . . . 0.0 109.276 179.69 31.411 158.973 81.26 104.313 2.021 104.228 -44.629 -64.669 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.494 ' C ' ' O ' ' A' ' 30' ' ' CYS . . . 33.98 -92.51 0.01 OUTLIER Glycine 0 N--CA 1.498 2.797 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.655 HG11 ' HB2' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -101.37 143.19 14.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 177.807 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' O ' ' SG ' ' A' ' 48' ' ' CYS . . . -162.08 105.46 0.26 Allowed Glycine 0 N--CA 1.49 2.248 0 C-N-CA 119.168 -1.491 . . . . 0.0 109.811 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.791 ' CZ ' HG22 ' A' ' 6' ' ' VAL . 7.9 p90 -91.52 146.59 23.66 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.466 -1.02 . . . . 0.0 112.025 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.722 ' HG3' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -86.36 -179.04 6.6 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 176.059 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -161.6 133.91 5.86 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 117.666 -1.614 . . . . 0.0 111.096 -178.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.57 ' HA3' ' O ' ' A' ' 19' ' ' ALA . . . -173.09 -141.56 3.53 Favored Glycine 0 N--CA 1.484 1.838 0 C-N-CA 117.375 -2.345 . . . . 0.0 113.23 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 1.107 HG22 ' OG1' ' A' ' 43' ' ' THR . 58.9 p -142.15 158.53 43.64 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.721 -0.87 . . . . 0.0 110.833 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.662 ' CB ' ' CE3' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -120.96 -66.9 1.01 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.805 136.601 112.093 20.15 106.037 2.024 104.333 154.372 -90.016 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.602 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -140.61 -77.18 0.05 OUTLIER Glycine 0 N--CA 1.49 2.299 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.67 17.87 15.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.327 -1.102 . . . . 0.0 108.623 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.612 ' O ' ' CB ' ' A' ' 43' ' ' THR . 60.7 mt-30 -114.99 -142.25 0.38 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.48 -0.763 . . . . 0.0 109.551 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 1.107 ' OG1' HG22 ' A' ' 38' ' ' THR . 1.9 m 141.71 144.77 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.228 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 43' ' ' THR . 0.1 OUTLIER 165.24 -167.12 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.771 -1.206 . . . . 0.0 110.318 179.355 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.53 ' HD3' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -125.43 162.45 24.82 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 122.211 1.005 . . . . 0.0 110.3 -178.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.975 HD12 ' CZ3' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -151.26 137.63 12.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 179.455 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.666 ' HA ' ' CA ' ' A' ' 34' ' ' PHE . 13.3 mtm180 -67.55 173.43 4.16 Favored 'General case' 0 C--N 1.278 -2.532 0 CA-C-O 123.107 1.432 . . . . 0.0 113.605 -176.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.5 OUTLIER -174.35 132.77 0.39 Allowed 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.787 -1.551 . . . . 0.0 107.457 179.937 100.866 -142.4 132.971 104.279 2.02 104.249 -170.735 -50.391 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -59.88 161.93 6.0 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.837 -1.165 . . . . 0.0 110.478 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.517 ' HB ' ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -142.63 131.28 11.67 Favored Pre-proline 0 N--CA 1.491 1.593 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 52' ' ' CYS . 35.8 Cg_endo -79.17 35.77 0.58 Allowed 'Trans proline' 0 C--N 1.314 -1.256 0 C-N-CA 122.765 2.31 . . . . 0.0 112.141 -178.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.526 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . 88.1 m 39.19 60.49 1.48 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.144 -0.972 . . . . 0.0 110.157 179.235 -64.669 -44.629 81.26 104.228 2.021 104.313 158.973 31.411 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.522 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 2.9 m-20 -92.76 33.71 1.13 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 0.0 109.31 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.533 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 20.1 p-90 -44.84 -36.41 3.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.188 -0.945 . . . . 0.0 110.071 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.533 ' HB2' ' CE2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -108.05 -10.29 15.49 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.889 -1.132 . . . . 0.0 110.313 -179.627 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.598 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER 65.77 2.52 2.16 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.472 -0.767 . . . . 0.0 109.991 -179.188 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.598 ' CB ' ' O ' ' A' ' 56' ' ' LYS . 4.3 mt-10 148.31 95.4 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.402 ' HD1' ' CD ' ' A' ' 55' ' ' LYS . 2.2 t80 -75.14 81.11 2.29 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.102 -0.999 . . . . 0.0 109.404 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.431 0 CA-C-O 118.058 -1.412 . . . . 0.0 109.814 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 1' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.54 ' NZ ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -139.47 97.67 3.33 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.428 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 4' ' ' ASP . 0.1 OUTLIER -93.65 46.41 1.19 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.241 -0.912 . . . . 0.0 109.36 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 6' ' ' VAL . 33.1 m-20 44.58 45.3 7.8 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.915 . . . . 0.0 109.094 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.54 ' HD3' ' NZ ' ' A' ' 2' ' ' LYS . 6.4 ptmt -47.35 90.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.431 -0.793 . . . . 0.0 109.996 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.791 HG22 ' CZ ' ' A' ' 34' ' ' PHE . 1.5 p -78.69 -15.08 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.14 -0.975 . . . . 0.0 108.781 179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.672 ' HA ' ' CE2' ' A' ' 34' ' ' PHE . 16.4 pttp -80.87 120.97 25.39 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 178.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.607 ' N ' ' HD3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 57.03 151.86 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.548 0.689 . . . . 0.0 110.284 -179.477 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.73 -13.89 2.43 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.406 ' HA2' ' HD3' ' A' ' 11' ' ' PRO . . . -179.54 144.07 5.94 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.24 -1.544 . . . . 0.0 109.24 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.406 ' HD3' ' HA2' ' A' ' 10' ' ' GLY . 36.0 Cg_endo -78.25 -90.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.538 0 C-N-CA 122.641 2.227 . . . . 0.0 110.509 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.71 95.38 0.09 OUTLIER Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.684 -1.367 . . . . 0.0 109.684 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.418 ' O ' ' CD ' ' A' ' 14' ' ' GLU . 99.5 p -126.92 126.78 43.83 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.229 -1.159 . . . . 0.0 109.368 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 15' ' ' CYS . 0.2 OUTLIER -172.24 145.66 1.76 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.215 -0.928 . . . . 0.0 109.413 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.564 ' HB3' ' HB2' ' A' ' 18' ' ' TRP . 1.8 m 63.46 78.33 0.29 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.427 -0.796 . . . . 0.0 109.651 -179.943 -90.016 154.372 20.15 104.333 2.024 106.037 112.093 136.601 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.474 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . -46.08 -57.09 4.77 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.011 -1.056 . . . . 0.0 108.689 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.531 ' O ' ' O ' ' A' ' 18' ' ' TRP . 87.0 mt-10 -52.65 -88.85 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 106.298 -1.742 . . . . 0.0 106.298 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.775 ' CD1' ' CD1' ' A' ' 20' ' ' TRP . 0.8 OUTLIER 57.35 125.53 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.078 177.118 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.57 ' O ' ' HA3' ' A' ' 37' ' ' GLY . . . -57.2 88.84 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 176.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.975 ' CZ3' HD12 ' A' ' 46' ' ' ILE . 25.8 m95 -101.19 101.77 12.55 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.718 -1.239 . . . . 0.0 111.317 -176.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.58 ' O ' ' CB ' ' A' ' 35' ' ' ARG . . . -59.13 166.48 8.12 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 107.393 -2.283 . . . . 0.0 107.393 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.552 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 32.5 Cg_endo -69.63 176.2 6.99 Favored 'Trans proline' 0 C--N 1.31 -1.498 0 C-N-CA 122.485 2.124 . . . . 0.0 111.39 -178.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 34' ' ' PHE . 32.8 m -79.79 174.73 11.29 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.677 0.751 . . . . 0.0 110.437 -178.762 -50.391 -170.735 132.971 104.249 2.02 104.279 -142.4 100.866 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.451 ' O ' HG22 ' A' ' 24' ' ' THR . 0.4 OUTLIER -158.97 132.15 4.71 Favored Pre-proline 0 C--N 1.303 -1.448 0 N-CA-C 108.669 -0.864 . . . . 0.0 108.669 179.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.495 ' HB2' ' O ' ' A' ' 28' ' ' LYS . 33.0 Cg_endo -76.15 76.75 3.72 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 122.149 1.899 . . . . 0.0 110.267 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.45 -23.06 0.54 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.467 -0.771 . . . . 0.0 109.809 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 28' ' ' LYS . 3.5 m -119.09 -97.41 0.46 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.093 -1.004 . . . . 0.0 109.732 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 25' ' ' PRO . 5.0 mmtt -61.73 -132.72 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.107 -0.996 . . . . 0.0 109.464 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.434 ' OD2' ' CB ' ' A' ' 54' ' ' TRP . 1.1 t0 -134.48 21.41 3.65 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.923 -1.111 . . . . 0.0 109.589 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 32' ' ' VAL . 0.8 OUTLIER 178.41 -104.72 0.0 OUTLIER 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.252 -0.905 . . . . 0.0 109.276 179.69 31.411 158.973 81.26 104.313 2.021 104.228 -44.629 -64.669 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.494 ' C ' ' O ' ' A' ' 30' ' ' CYS . . . 33.98 -92.51 0.01 OUTLIER Glycine 0 N--CA 1.498 2.797 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.655 HG11 ' HB2' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -101.37 143.19 14.78 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 177.807 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' O ' ' SG ' ' A' ' 48' ' ' CYS . . . -162.08 105.46 0.26 Allowed Glycine 0 N--CA 1.49 2.248 0 C-N-CA 119.168 -1.491 . . . . 0.0 109.811 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.791 ' CZ ' HG22 ' A' ' 6' ' ' VAL . 7.9 p90 -91.52 146.59 23.66 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.466 -1.02 . . . . 0.0 112.025 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.722 ' HG3' HD11 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -86.36 -179.04 6.6 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 106.328 -1.73 . . . . 0.0 106.328 176.059 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 44' ' ' GLN . 0.7 OUTLIER -161.6 133.91 5.86 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 117.666 -1.614 . . . . 0.0 111.096 -178.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.57 ' HA3' ' O ' ' A' ' 19' ' ' ALA . . . -173.09 -141.56 3.53 Favored Glycine 0 N--CA 1.484 1.838 0 C-N-CA 117.375 -2.345 . . . . 0.0 113.23 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 1.107 HG22 ' OG1' ' A' ' 43' ' ' THR . 58.9 p -142.15 158.53 43.64 Favored 'General case' 0 N--CA 1.485 1.29 0 O-C-N 121.721 -0.87 . . . . 0.0 110.833 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.662 ' CB ' ' CE3' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -120.96 -66.9 1.01 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.805 136.601 112.093 20.15 106.037 2.024 104.333 154.372 -90.016 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.602 ' N ' ' SG ' ' A' ' 39' ' ' CYS . . . -140.61 -77.18 0.05 OUTLIER Glycine 0 N--CA 1.49 2.299 0 N-CA-C 108.83 -1.708 . . . . 0.0 108.83 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.67 17.87 15.12 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.327 -1.102 . . . . 0.0 108.623 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.612 ' O ' ' CB ' ' A' ' 43' ' ' THR . 24.6 mt-30 -114.99 -142.25 0.38 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.48 -0.763 . . . . 0.0 109.551 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 1.107 ' OG1' HG22 ' A' ' 38' ' ' THR . 1.9 m 141.71 144.77 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.228 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 43' ' ' THR . 0.1 OUTLIER 165.24 -167.12 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.771 -1.206 . . . . 0.0 110.318 179.355 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.53 ' HD3' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -125.43 162.45 24.82 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-O 122.211 1.005 . . . . 0.0 110.3 -178.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.975 HD12 ' CZ3' ' A' ' 20' ' ' TRP . 0.1 OUTLIER -151.26 137.63 12.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 179.455 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.666 ' HA ' ' CA ' ' A' ' 34' ' ' PHE . 13.3 mtm180 -67.55 173.43 4.16 Favored 'General case' 0 C--N 1.278 -2.532 0 CA-C-O 123.107 1.432 . . . . 0.0 113.605 -176.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.471 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.5 OUTLIER -174.35 132.77 0.39 Allowed 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.787 -1.551 . . . . 0.0 107.457 179.937 100.866 -142.4 132.971 104.279 2.02 104.249 -170.735 -50.391 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -59.88 161.93 6.0 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.837 -1.165 . . . . 0.0 110.478 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.517 ' HB ' ' CB ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -142.63 131.28 11.67 Favored Pre-proline 0 N--CA 1.491 1.593 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 52' ' ' CYS . 35.8 Cg_endo -79.17 35.77 0.58 Allowed 'Trans proline' 0 C--N 1.314 -1.256 0 C-N-CA 122.765 2.31 . . . . 0.0 112.141 -178.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.526 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . 88.1 m 39.19 60.49 1.48 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.144 -0.972 . . . . 0.0 110.157 179.235 -64.669 -44.629 81.26 104.228 2.021 104.313 158.973 31.411 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.522 ' O ' ' HD2' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -92.76 33.71 1.13 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 0.0 109.31 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.533 ' CE2' ' HB2' ' A' ' 55' ' ' LYS . 20.1 p-90 -44.84 -36.41 3.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.188 -0.945 . . . . 0.0 110.071 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.533 ' HB2' ' CE2' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -108.05 -10.29 15.49 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.889 -1.132 . . . . 0.0 110.313 -179.627 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.598 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER 65.77 2.52 2.16 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.472 -0.767 . . . . 0.0 109.991 -179.188 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.598 ' CB ' ' O ' ' A' ' 56' ' ' LYS . 4.3 mt-10 148.31 95.4 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.402 ' HD1' ' CD ' ' A' ' 55' ' ' LYS . 2.2 t80 -75.14 81.11 2.29 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.102 -0.999 . . . . 0.0 109.404 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.431 0 CA-C-O 118.058 -1.412 . . . . 0.0 109.814 179.946 . . . . . . . . 0 0 . 1 stop_ save_