data_2stw_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 2stw _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . 0.596 ' H6 ' " O5'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.357 1 O4'-C1'-N19 111.036 4.045 . . . . 1.85 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.443 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.735 0 O4'-C1'-N19 110.957 3.946 . . . . 1.4 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.022 4.028 . . . . 1.22 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.204 1 O4'-C1'-N19 111.081 4.102 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.593 1 O4'-C1'-N19 111.597 4.746 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.489 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.33 0 C3'-C2'-C1' 106.747 2.89 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DC' . . . . . 0.489 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.253 1 O4'-C1'-N19 111.813 5.017 . . . . 1.71 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.574 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.577 0 O4'-C1'-N19 110.899 3.873 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.574 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.967 1 O4'-C1'-N19 111.763 4.953 . . . . 1.39 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.025 1 O4'-C1'-N19 111.426 4.533 . . . . 1.12 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.475 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.206 4.258 . . . . 1.07 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . 0.475 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.937 1 O4'-C1'-N19 111.689 4.861 . . . . 0.86 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 1 O4'-C1'-N19 111.264 4.33 . . . . 1.25 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.448 1 O4'-C1'-N19 111.508 4.635 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 0.439 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.845 0 O4'-C1'-N19 110.267 3.084 . . . . 1.22 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 0.439 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.571 1 O4'-C1'-N19 111.139 4.174 . . . . 1.62 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.884 1 O4'-C1'-N19 111.274 4.342 . . . . 2.17 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . 0.572 ' H6 ' " O5'" ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.327 0 O4'-C1'-N19 110.939 3.924 . . . . 2.05 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.707 0 O4'-C1'-N19 110.391 3.239 . . . . 1.58 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 1 O4'-C1'-N19 111.201 4.251 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.406 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.699 1 O4'-C1'-N19 111.612 4.764 . . . . 0.97 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DA' . . . . . 0.406 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.858 0 O4'-C1'-N19 110.967 3.959 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.329 1 O4'-C1'-N19 111.952 5.19 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.47 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.337 0 O4'-C1'-N19 110.272 3.09 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ' DT' . . . . . 0.598 ' OP2' ' NZ ' ' A' ' 78' ' ' LYS . . . . . . . . 0 C5'--C4' 1.526 1.932 1 O4'-C1'-N19 111.959 5.199 . . . . 1.21 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.467 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.396 0 O4'-C1'-N19 110.934 3.918 . . . . 1.18 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.611 ' H41' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.918 0 O4'-C1'-N19 110.503 3.379 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.546 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.129 4.161 . . . . 1.34 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 1 O4'-C1'-N19 112.027 5.284 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ' DC' . . . . . 0.508 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.571 0 O4'-C1'-N19 110.637 3.546 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ' DT' . . . . . 0.508 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.459 1 O4'-C1'-N19 111.613 4.766 . . . . 1.3 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.402 ' H6 ' " O5'" ' C' ' 32' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.737 0 O4'-C1'-N19 110.275 3.094 . . . . 1.3 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ' DG' . . . . . 0.52 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.481 1 O4'-C1'-N19 111.029 4.036 . . . . 1.44 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' ' DA' . . . . . 0.52 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.972 0 O4'-C1'-N19 110.885 3.856 . . . . 1.72 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 122.72 1.248 . . . . 3.53 108.575 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.57 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -132.27 51.08 6.6 Favored Pre-proline 0 N--CA 1.487 1.378 0 N-CA-C 106.87 -1.53 . . . . 3.8 106.87 176.423 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.592 ' O ' ' N ' ' A' ' 16' ' ' LEU . 18.6 Cg_endo -63.61 -2.2 4.02 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 121.305 1.337 . . . . 3.6 109.237 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.436 ' H ' ' C ' ' A' ' 11' ' ' ILE . . . -54.51 -67.18 0.29 Allowed 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.096 -1.003 . . . . 3.47 108.425 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.24 -25.74 64.29 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.522 -0.736 . . . . 3.84 110.151 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.2 -34.83 23.86 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.914 -1.116 . . . . 3.84 109.217 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' A' ' 12' ' ' PRO . 23.3 mt -77.47 -49.77 14.07 Favored 'General case' 0 CA--C 1.482 -1.652 0 N-CA-C 106.613 -1.625 . . . . 4.19 106.613 178.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.789 ' C ' ' H ' ' A' ' 19' ' ' TYR . . . -60.66 -73.97 0.08 Allowed 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 104.854 -2.276 . . . . 3.68 104.854 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.43 6.67 0.3 Allowed Glycine 0 N--CA 1.494 2.522 0 N-CA-C 104.879 -3.288 . . . . 3.25 104.879 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.789 ' H ' ' C ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -72.05 113.83 9.51 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 102.189 -3.263 . . . . 4.31 102.189 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.536 ' C ' ' H ' ' A' ' 22' ' ' SER . 0.3 OUTLIER -74.8 -176.65 2.94 Favored 'General case' 0 C--N 1.286 -2.153 0 CA-C-O 122.303 1.049 . . . . 4.69 113.015 -171.651 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' C ' ' H ' ' A' ' 23' ' ' GLY . . . -67.17 50.21 0.26 Allowed Glycine 0 N--CA 1.475 1.296 0 N-CA-C 107.398 -2.281 . . . . 5.54 107.398 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.536 ' H ' ' C ' ' A' ' 20' ' ' THR . 1.0 OUTLIER -86.77 49.85 1.89 Allowed 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 105.032 -2.21 . . . . 5.32 105.032 179.329 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 21' ' ' GLY . . . 90.3 150.03 23.3 Favored Glycine 0 CA--C 1.538 1.469 0 N-CA-C 106.966 -2.453 . . . . 3.88 106.966 -177.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -53.85 149.35 33.92 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 N-CA-C 108.784 -1.275 . . . . 3.38 108.784 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.621 ' N ' ' OH ' ' A' ' 19' ' ' TYR . 6.9 tt -74.59 162.98 4.21 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 120.886 -1.134 . . . . 2.65 108.981 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.611 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 2.0 tm0? -82.47 135.71 35.07 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 106.099 -1.815 . . . . 1.43 106.099 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.563 ' N ' ' OE1' ' A' ' 26' ' ' GLN . 3.9 tt -42.97 -77.7 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.421 -0.799 . . . . 2.35 111.372 -178.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.611 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 62.4 p-90 -56.84 -40.51 76.19 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.026 -1.046 . . . . 1.27 112.605 -175.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -52.17 -46.89 65.67 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.175 -1.578 . . . . 2.63 108.545 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -60.6 -56.57 19.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.293 -0.88 . . . . 0.91 108.971 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.6 tp -56.99 -43.62 81.92 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.541 -0.724 . . . . 1.99 109.147 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.6 tp -66.33 -35.63 80.86 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.294 -0.879 . . . . 2.21 109.622 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -68.62 -40.85 80.18 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.821 -1.174 . . . . 2.56 108.24 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.8 tp -71.11 -22.05 62.13 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.482 -0.761 . . . . 2.14 108.991 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -70.96 0.23 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.224 -0.922 . . . . 2.18 109.634 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.5 p -74.56 57.45 0.73 Allowed 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.042 -1.466 . . . . 1.97 107.042 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.576 ' OD1' HD11 ' A' ' 16' ' ' LEU . 1.9 t70 -117.56 -131.55 0.31 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 113.493 0.923 . . . . 3.18 113.493 -175.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.572 ' HD3' ' N ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -61.5 -146.29 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.517 -0.739 . . . . 4.66 112.324 -175.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.528 ' O ' ' HB2' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -64.93 -68.8 0.33 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.692 -1.255 . . . . 3.13 111.206 -176.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.572 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 86.2 m 83.17 8.34 0.67 Allowed 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.84 0.828 . . . . 3.23 108.809 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -92.48 -33.25 14.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.514 -0.741 . . . . 2.81 109.168 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.84 -18.86 38.9 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.361 -0.837 . . . . 2.6 112.034 -177.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 14.5 m-85 -124.82 -2.85 7.76 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.794 -1.191 . . . . 1.6 110.477 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.482 ' CG1' ' H ' ' A' ' 45' ' ' SER . 6.9 tt -166.05 -168.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 C-N-CA 119.031 -1.068 . . . . 1.44 109.447 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.482 ' H ' ' CG1' ' A' ' 44' ' ' ILE . 0.2 OUTLIER -129.01 116.07 18.77 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.99 -1.069 . . . . 1.81 110.867 -179.348 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.11 100.8 8.43 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 107.584 -1.265 . . . . 1.29 107.584 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.98 158.82 4.59 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.165 -1.584 . . . . 2.57 108.094 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.25 49.45 0.84 Allowed Glycine 0 N--CA 1.497 2.71 0 N-CA-C 108.377 -1.889 . . . . 2.12 108.377 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.442 ' HB3' ' H ' ' A' ' 50' ' ' GLY . 0.6 OUTLIER -129.23 -112.81 0.26 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.5 -1.0 . . . . 3.61 109.989 -178.836 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.442 ' H ' ' HB3' ' A' ' 49' ' ' ASP . . . -82.23 -95.42 0.51 Allowed Glycine 0 N--CA 1.49 2.286 0 O-C-N 120.396 -1.44 . . . . 1.69 110.419 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 25.5 t-105 -149.96 77.03 1.31 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.017 -1.284 . . . . 1.81 110.436 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -122.25 133.14 54.7 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.066 -1.457 . . . . 2.71 107.066 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -134.85 117.57 16.04 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.873 -1.142 . . . . 0.87 110.236 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.29 145.3 41.95 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-O 122.293 1.044 . . . . 2.95 109.611 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.614 ' CD2' ' HH ' ' A' ' 76' ' ' TYR . 10.1 mp -94.72 93.38 7.49 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.417 -0.81 . . . . 1.84 109.277 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.36 -56.81 4.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 2.09 110.23 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -139.4 77.1 30.03 Favored Pre-proline 0 N--CA 1.501 2.112 0 O-C-N 121.143 -0.973 . . . . 2.33 110.307 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -73.9 52.83 2.69 Favored 'Trans proline' 0 C--N 1.317 -1.082 0 C-N-CA 121.253 1.302 . . . . 1.09 108.944 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -71.23 -41.43 70.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.669 -1.269 . . . . 2.59 109.368 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -84.47 -38.04 20.61 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.122 -0.986 . . . . 2.41 109.107 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.44 -50.73 70.83 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 108.893 -0.78 . . . . 1.31 108.893 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.84 -42.84 80.39 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.562 -0.711 . . . . 1.5 110.757 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.2 -27.13 53.46 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.18 -1.575 . . . . 4.25 110.189 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -67.63 -40.18 84.63 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.245 -1.534 . . . . 4.59 107.457 176.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -54.22 -45.73 72.33 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.67 -0.643 . . . . 0.86 110.117 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.91 -22.65 60.98 Favored Glycine 0 N--CA 1.492 2.378 0 C-N-CA 120.174 -1.012 . . . . 0.99 110.749 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -68.81 -41.89 78.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.927 -1.337 . . . . 3.15 109.814 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.471 ' HE ' ' HB3' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -51.99 -23.99 5.92 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.342 -0.849 . . . . 4.69 109.62 -179.092 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -102.41 22.78 12.85 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.551 0.691 . . . . 3.31 109.453 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 54.78 18.86 2.3 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.632 -0.667 . . . . 2.81 109.854 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -97.64 124.86 46.87 Favored Pre-proline 0 N--CA 1.49 1.525 0 N-CA-C 106.791 -1.559 . . . . 2.51 106.791 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -57.23 -58.65 0.81 Allowed 'Trans proline' 0 N--CA 1.48 0.729 0 C-N-CA 121.432 1.421 . . . . 3.32 113.279 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -130.11 135.73 48.53 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 122.42 1.105 . . . . 5.52 112.39 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.485 ' SD ' ' HD2' ' A' ' 78' ' ' LYS . 1.0 OUTLIER -134.7 115.38 13.71 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 115.091 -0.958 . . . . 2.8 109.037 177.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.9 p30 -61.98 167.65 3.7 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.478 -0.889 . . . . 1.96 109.29 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.614 ' HH ' ' CD2' ' A' ' 55' ' ' LEU . 66.3 t80 -74.26 -17.57 60.85 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.607 -0.683 . . . . 1.49 110.566 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.417 ' O ' ' OG ' ' A' ' 80' ' ' SER . 29.1 mt-10 -54.06 -34.4 59.98 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.996 -1.065 . . . . 2.58 108.966 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.598 ' NZ ' ' OP2' ' C' ' 25' ' ' ' DT' . 8.8 mtpt -52.99 -55.94 19.79 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 122.43 1.109 . . . . 4.92 111.052 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 35.6 mt -55.78 -46.82 77.88 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 108.393 -0.965 . . . . 1.85 108.393 -177.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.46 ' CB ' ' OP2' ' B' ' 7' ' ' ' DC' . 0.2 OUTLIER -58.18 -17.43 18.67 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 107.195 -1.409 . . . . 1.8 107.195 176.294 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.611 ' NH1' ' H41' ' C' ' 27' ' ' ' DC' . 0.0 OUTLIER -89.41 -73.93 0.49 Allowed 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.526 0.679 . . . . 5.69 110.763 -178.372 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -67.38 -36.98 90.04 Favored Glycine 0 N--CA 1.487 2.062 0 N-CA-C 110.747 -0.941 . . . . 0.76 110.747 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.412 ' O ' ' CB ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -65.27 -40.44 93.91 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.93 -1.335 . . . . 2.05 108.05 -178.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 86' ' ' TYR . 10.4 ttp180 -57.04 -65.02 0.69 Allowed 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.935 -1.135 . . . . 2.76 107.935 178.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.514 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 67.7 t80 -48.75 -8.97 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.873 -1.142 . . . . 1.3 110.325 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.55 ' N ' ' O ' ' A' ' 84' ' ' ARG . 4.6 t80 -76.75 10.57 2.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.091 -1.006 . . . . 1.1 111.55 -178.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -76.2 29.65 0.12 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.45 -1.406 . . . . 2.01 108.949 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.493 ' H ' ' C ' ' A' ' 86' ' ' TYR . 0.9 OUTLIER -78.84 -33.46 45.95 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.828 -1.17 . . . . 2.61 109.456 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -122.72 154.36 38.22 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.907 0.86 . . . . 3.29 109.615 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -78.6 88.99 4.51 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 107.169 -1.419 . . . . 3.41 107.169 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.509 ' CG2' ' H ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -138.45 -61.14 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 C-N-CA 120.23 -0.588 . . . . 1.73 109.5 -179.101 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.509 ' H ' ' CG2' ' A' ' 91' ' ' ILE . 4.4 tt -127.13 122.16 59.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.043 -1.036 . . . . 1.63 109.912 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -116.49 140.84 48.93 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.121 -1.066 . . . . 1.88 108.121 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -86.13 152.83 22.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.837 -1.165 . . . . 3.38 108.851 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 97' ' ' GLY . 47.4 m -88.06 139.62 30.32 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.43 -0.794 . . . . 1.68 111.697 -176.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.97 15.63 2.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.702 -0.624 . . . . 2.25 109.461 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.406 ' H ' HG23 ' A' ' 95' ' ' THR . . . -77.58 -77.24 0.83 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.242 -1.943 . . . . 1.81 108.242 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.453 ' H ' HG22 ' A' ' 101' ' ' VAL . 7.4 tttp -110.75 -140.42 0.38 Allowed 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.705 -1.22 . . . . 3.75 107.705 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -124.28 -38.07 2.47 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.925 -1.109 . . . . 5.42 109.468 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -86.32 10.36 15.12 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.197 -0.94 . . . . 1.6 108.957 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.453 HG22 ' H ' ' A' ' 98' ' ' LYS . 1.2 m -90.79 116.06 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.326 -0.859 . . . . 1.78 109.083 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.606 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 30.8 m-85 -112.29 159.64 18.45 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.107 -1.072 . . . . 1.31 108.107 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.435 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -153.53 162.59 41.12 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.231 -0.988 . . . . 3.5 109.536 -178.344 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 104' ' ' PHE . 13.6 m-85 -135.06 151.13 50.48 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 121.575 0.703 . . . . 0.99 109.998 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 117.944 -1.027 . . . . 2.28 108.547 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.836 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.357 1 O4'-C1'-N19 111.036 4.045 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.436 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.735 0 O4'-C1'-N19 110.957 3.946 . . . . 1.39 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.022 4.028 . . . . 1.19 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.204 1 O4'-C1'-N19 111.081 4.102 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.593 1 O4'-C1'-N19 111.597 4.746 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DC' . . . . . 0.481 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.33 0 C3'-C2'-C1' 106.747 2.89 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DC' . . . . . 0.481 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.253 1 O4'-C1'-N19 111.813 5.017 . . . . 1.58 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.574 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.577 0 O4'-C1'-N19 110.899 3.873 . . . . 1.18 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.574 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.967 1 O4'-C1'-N19 111.763 4.953 . . . . 1.39 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.025 1 O4'-C1'-N19 111.426 4.533 . . . . 1.12 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DA' . . . . . 0.472 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.206 4.258 . . . . 1.07 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . 0.472 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.937 1 O4'-C1'-N19 111.689 4.861 . . . . 0.86 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 1 O4'-C1'-N19 111.264 4.33 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.448 1 O4'-C1'-N19 111.508 4.635 . . . . 0.82 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 0.43 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.845 0 O4'-C1'-N19 110.267 3.084 . . . . 1.22 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 0.43 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.571 1 O4'-C1'-N19 111.139 4.174 . . . . 1.62 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.884 1 O4'-C1'-N19 111.274 4.342 . . . . 2.04 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . 0.831 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.327 0 O4'-C1'-N19 110.939 3.924 . . . . 1.88 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.707 0 O4'-C1'-N19 110.391 3.239 . . . . 1.56 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 1 O4'-C1'-N19 111.201 4.251 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.4 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.699 1 O4'-C1'-N19 111.612 4.764 . . . . 0.97 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DA' . . . . . 0.4 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.858 0 O4'-C1'-N19 110.967 3.959 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.329 1 O4'-C1'-N19 111.952 5.19 . . . . 0.8 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.465 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.337 0 O4'-C1'-N19 110.272 3.09 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ' DT' . . . . . 0.596 ' OP2' ' NZ ' ' A' ' 78' ' ' LYS . . . . . . . . 0 C5'--C4' 1.526 1.932 1 O4'-C1'-N19 111.959 5.199 . . . . 1.11 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.461 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.396 0 O4'-C1'-N19 110.934 3.918 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.619 ' H42' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.918 0 O4'-C1'-N19 110.503 3.379 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.541 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.129 4.161 . . . . 1.34 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 1 O4'-C1'-N19 112.027 5.284 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ' DC' . . . . . 0.503 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.571 0 O4'-C1'-N19 110.637 3.546 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ' DT' . . . . . 0.503 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.459 1 O4'-C1'-N19 111.613 4.766 . . . . 1.07 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.737 0 O4'-C1'-N19 110.275 3.094 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ' DG' . . . . . 0.516 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.481 1 O4'-C1'-N19 111.029 4.036 . . . . 1.44 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 34' ' ' ' DA' . . . . . 0.516 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.972 0 O4'-C1'-N19 110.885 3.856 . . . . 1.49 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 122.72 1.248 . . . . 3.18 108.575 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.57 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -132.27 51.08 6.6 Favored Pre-proline 0 N--CA 1.487 1.378 0 N-CA-C 106.87 -1.53 . . . . 3.28 106.87 176.423 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.592 ' O ' ' N ' ' A' ' 16' ' ' LEU . 18.6 Cg_endo -63.61 -2.2 4.02 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 121.305 1.337 . . . . 3.31 109.237 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.51 -67.18 0.29 Allowed 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.096 -1.003 . . . . 3.18 108.425 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.24 -25.74 64.29 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.522 -0.736 . . . . 3.49 110.151 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.2 -34.83 23.86 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.914 -1.116 . . . . 3.41 109.217 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.624 HD13 ' OD1' ' A' ' 37' ' ' ASP . 23.3 mt -77.47 -49.77 14.07 Favored 'General case' 0 CA--C 1.482 -1.652 0 N-CA-C 106.613 -1.625 . . . . 3.71 106.613 178.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.781 ' C ' ' H ' ' A' ' 19' ' ' TYR . . . -60.66 -73.97 0.08 Allowed 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 104.854 -2.276 . . . . 3.19 104.854 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.43 6.67 0.3 Allowed Glycine 0 N--CA 1.494 2.522 0 N-CA-C 104.879 -3.288 . . . . 2.92 104.879 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.781 ' H ' ' C ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -72.05 113.83 9.51 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 102.189 -3.263 . . . . 3.89 102.189 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.571 ' O ' ' N ' ' A' ' 22' ' ' SER . 0.3 OUTLIER -74.8 -176.65 2.94 Favored 'General case' 0 C--N 1.286 -2.153 0 CA-C-O 122.303 1.049 . . . . 4.19 113.015 -171.651 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.17 50.21 0.26 Allowed Glycine 0 N--CA 1.475 1.296 0 N-CA-C 107.398 -2.281 . . . . 5.28 107.398 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.0 OUTLIER -86.77 49.85 1.89 Allowed 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 105.032 -2.21 . . . . 5.27 105.032 179.329 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.3 150.03 23.3 Favored Glycine 0 CA--C 1.538 1.469 0 N-CA-C 106.966 -2.453 . . . . 3.5 106.966 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -53.85 149.35 33.92 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 N-CA-C 108.784 -1.275 . . . . 3.05 108.784 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.621 ' N ' ' OH ' ' A' ' 19' ' ' TYR . 6.9 tt -74.59 162.98 4.21 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 120.886 -1.134 . . . . 2.28 108.981 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.611 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 2.0 tm0? -82.47 135.71 35.07 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 106.099 -1.815 . . . . 1.18 106.099 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.619 HD23 ' C ' ' A' ' 27' ' ' LEU . 3.9 tt -42.97 -77.7 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.421 -0.799 . . . . 1.76 111.372 -178.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.611 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 62.4 p-90 -56.84 -40.51 76.19 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.026 -1.046 . . . . 1.18 112.605 -175.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -52.17 -46.89 65.67 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.175 -1.578 . . . . 2.18 108.545 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -60.6 -56.57 19.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.293 -0.88 . . . . 0.8 108.971 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.6 tp -56.99 -43.62 81.92 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.541 -0.724 . . . . 1.45 109.147 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.6 tp -66.33 -35.63 80.86 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.294 -0.879 . . . . 1.6 109.622 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -68.62 -40.85 80.18 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.821 -1.174 . . . . 2.56 108.24 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.8 tp -71.11 -22.05 62.13 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.482 -0.761 . . . . 1.54 108.991 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -70.96 0.23 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.224 -0.922 . . . . 1.5 109.634 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.5 p -74.56 57.45 0.73 Allowed 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.042 -1.466 . . . . 1.74 107.042 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.624 ' OD1' HD13 ' A' ' 16' ' ' LEU . 1.9 t70 -117.56 -131.55 0.31 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 113.493 0.923 . . . . 3.18 113.493 -175.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.603 ' HD3' ' N ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -61.5 -146.29 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.517 -0.739 . . . . 4.29 112.324 -175.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.585 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -64.93 -68.8 0.33 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.692 -1.255 . . . . 2.93 111.206 -176.778 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.603 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 86.2 m 83.17 8.34 0.67 Allowed 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.84 0.828 . . . . 2.89 108.809 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -92.48 -33.25 14.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.514 -0.741 . . . . 2.48 109.168 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.84 -18.86 38.9 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.361 -0.837 . . . . 2.13 112.034 -177.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 14.5 m-85 -124.82 -2.85 7.76 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.794 -1.191 . . . . 1.41 110.477 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.454 HG12 ' H ' ' A' ' 45' ' ' SER . 6.9 tt -166.05 -168.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 C-N-CA 119.031 -1.068 . . . . 0.88 109.447 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.454 ' H ' HG12 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -129.01 116.07 18.77 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.99 -1.069 . . . . 1.4 110.867 -179.348 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.11 100.8 8.43 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 107.584 -1.265 . . . . 1.29 107.584 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -56.98 158.82 4.59 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.165 -1.584 . . . . 2.03 108.094 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.25 49.45 0.84 Allowed Glycine 0 N--CA 1.497 2.71 0 N-CA-C 108.377 -1.889 . . . . 2.12 108.377 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.456 ' HB3' ' H ' ' A' ' 50' ' ' GLY . 0.6 OUTLIER -129.23 -112.81 0.26 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.5 -1.0 . . . . 3.61 109.989 -178.836 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.456 ' H ' ' HB3' ' A' ' 49' ' ' ASP . . . -82.23 -95.42 0.51 Allowed Glycine 0 N--CA 1.49 2.286 0 O-C-N 120.396 -1.44 . . . . 1.57 110.419 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 25.5 t-105 -149.96 77.03 1.31 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.017 -1.284 . . . . 1.53 110.436 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' O ' HG23 ' A' ' 47' ' ' THR . 5.8 mt-10 -122.25 133.14 54.7 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.066 -1.457 . . . . 2.71 107.066 178.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -134.85 117.57 16.04 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.873 -1.142 . . . . 0.84 110.236 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.29 145.3 41.95 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-O 122.293 1.044 . . . . 2.49 109.611 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.514 HD22 ' OH ' ' A' ' 76' ' ' TYR . 10.1 mp -94.72 93.38 7.49 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.417 -0.81 . . . . 1.31 109.277 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.36 -56.81 4.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 1.71 110.23 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -139.4 77.1 30.03 Favored Pre-proline 0 N--CA 1.501 2.112 0 O-C-N 121.143 -0.973 . . . . 2.33 110.307 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -73.9 52.83 2.69 Favored 'Trans proline' 0 C--N 1.317 -1.082 0 C-N-CA 121.253 1.302 . . . . 0.93 108.944 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -71.23 -41.43 70.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.669 -1.269 . . . . 2.59 109.368 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -84.47 -38.04 20.61 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.122 -0.986 . . . . 2.41 109.107 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.44 -50.73 70.83 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 108.893 -0.78 . . . . 0.76 108.893 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.84 -42.84 80.39 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.562 -0.711 . . . . 0.88 110.757 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.2 -27.13 53.46 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.18 -1.575 . . . . 3.7 110.189 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.422 ' NH2' HG12 ' A' ' 11' ' ' ILE . 56.0 mtt-85 -67.63 -40.18 84.63 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.245 -1.534 . . . . 3.93 107.457 176.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.529 ' CE2' HD21 ' A' ' 79' ' ' LEU . 7.5 t-105 -54.22 -45.73 72.33 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.67 -0.643 . . . . 0.78 110.117 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.91 -22.65 60.98 Favored Glycine 0 N--CA 1.492 2.378 0 C-N-CA 120.174 -1.012 . . . . 0.99 110.749 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -68.81 -41.89 78.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.927 -1.337 . . . . 2.74 109.814 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.448 ' HE ' ' HB3' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -51.99 -23.99 5.92 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.342 -0.849 . . . . 4.08 109.62 -179.092 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -102.41 22.78 12.85 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.551 0.691 . . . . 2.81 109.453 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 54.78 18.86 2.3 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.632 -0.667 . . . . 2.43 109.854 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -97.64 124.86 46.87 Favored Pre-proline 0 N--CA 1.49 1.525 0 N-CA-C 106.791 -1.559 . . . . 1.99 106.791 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -57.23 -58.65 0.81 Allowed 'Trans proline' 0 N--CA 1.48 0.729 0 C-N-CA 121.432 1.421 . . . . 2.75 113.279 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -130.11 135.73 48.53 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 122.42 1.105 . . . . 5.13 112.39 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.515 ' SD ' ' HD2' ' A' ' 78' ' ' LYS . 1.0 OUTLIER -134.7 115.38 13.71 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 115.091 -0.958 . . . . 2.4 109.037 177.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.9 p30 -61.98 167.65 3.7 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.478 -0.889 . . . . 1.61 109.29 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.606 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 66.3 t80 -74.26 -17.57 60.85 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.607 -0.683 . . . . 1.0 110.566 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -54.06 -34.4 59.98 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.996 -1.065 . . . . 2.58 108.966 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.596 ' NZ ' ' OP2' ' C' ' 25' ' ' ' DT' . 8.8 mtpt -52.99 -55.94 19.79 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 122.43 1.109 . . . . 4.5 111.052 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.529 HD21 ' CE2' ' A' ' 65' ' ' TRP . 35.6 mt -55.78 -46.82 77.88 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 108.393 -0.965 . . . . 1.26 108.393 -177.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.46 ' CB ' ' OP2' ' B' ' 7' ' ' ' DC' . 0.2 OUTLIER -58.18 -17.43 18.67 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 107.195 -1.409 . . . . 1.37 107.195 176.294 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.619 ' NH1' ' H42' ' C' ' 27' ' ' ' DC' . 0.0 OUTLIER -89.41 -73.93 0.49 Allowed 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.526 0.679 . . . . 4.99 110.763 -178.372 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -67.38 -36.98 90.04 Favored Glycine 0 N--CA 1.487 2.062 0 N-CA-C 110.747 -0.941 . . . . 0.75 110.747 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.412 ' O ' ' CB ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -65.27 -40.44 93.91 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.93 -1.335 . . . . 1.45 108.05 -178.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 86' ' ' TYR . 10.4 ttp180 -57.04 -65.02 0.69 Allowed 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.935 -1.135 . . . . 2.28 107.935 178.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.514 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 67.7 t80 -48.75 -8.97 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.873 -1.142 . . . . 1.1 110.325 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.55 ' N ' ' O ' ' A' ' 84' ' ' ARG . 4.6 t80 -76.75 10.57 2.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.091 -1.006 . . . . 1.1 111.55 -178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -76.2 29.65 0.12 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.45 -1.406 . . . . 1.47 108.949 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 86' ' ' TYR . 0.9 OUTLIER -78.84 -33.46 45.95 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.828 -1.17 . . . . 2.61 109.456 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -122.72 154.36 38.22 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.907 0.86 . . . . 2.85 109.615 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -78.6 88.99 4.51 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 107.169 -1.419 . . . . 2.67 107.169 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.701 HG23 ' H ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -138.45 -61.14 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 C-N-CA 120.23 -0.588 . . . . 1.17 109.5 -179.101 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.701 ' H ' HG23 ' A' ' 91' ' ' ILE . 4.4 tt -127.13 122.16 59.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.043 -1.036 . . . . 1.08 109.912 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -116.49 140.84 48.93 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.121 -1.066 . . . . 1.52 108.121 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -86.13 152.83 22.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.837 -1.165 . . . . 2.9 108.851 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.703 HG22 ' H ' ' A' ' 97' ' ' GLY . 47.4 m -88.06 139.62 30.32 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.43 -0.794 . . . . 1.22 111.697 -176.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.97 15.63 2.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.702 -0.624 . . . . 1.76 109.461 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.703 ' H ' HG22 ' A' ' 95' ' ' THR . . . -77.58 -77.24 0.83 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.242 -1.943 . . . . 1.81 108.242 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.752 ' H ' HG21 ' A' ' 101' ' ' VAL . 7.4 tttp -110.75 -140.42 0.38 Allowed 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.705 -1.22 . . . . 3.32 107.705 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -124.28 -38.07 2.47 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.925 -1.109 . . . . 4.8 109.468 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -86.32 10.36 15.12 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.197 -0.94 . . . . 1.43 108.957 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.752 HG21 ' H ' ' A' ' 98' ' ' LYS . 1.2 m -90.79 116.06 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.326 -0.859 . . . . 1.33 109.083 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.606 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 30.8 m-85 -112.29 159.64 18.45 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.107 -1.072 . . . . 1.0 108.107 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.435 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -153.53 162.59 41.12 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.231 -0.988 . . . . 2.99 109.536 -178.344 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.562 ' CE2' HD12 ' A' ' 92' ' ' ILE . 13.6 m-85 -135.06 151.13 50.48 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 121.575 0.703 . . . . 0.99 109.998 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 117.944 -1.027 . . . . 1.72 108.547 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.836 ' H6 ' HO5' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.357 1 O4'-C1'-N19 111.036 4.045 . . . . 1.52 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.436 " O5'" H2'' ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.735 0 O4'-C1'-N19 110.957 3.946 . . . . 1.39 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.756 1 O4'-C1'-N19 111.022 4.028 . . . . 1.19 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.204 1 O4'-C1'-N19 111.081 4.102 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.593 1 O4'-C1'-N19 111.597 4.746 . . . . 1.15 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.481 H2'' " O5'" ' B' ' 7' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.33 0 C3'-C2'-C1' 106.747 2.89 . . . . 1.23 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DC' . . . . . 0.481 " O5'" H2'' ' B' ' 6' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.253 1 O4'-C1'-N19 111.813 5.017 . . . . 1.58 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.574 H2'' " O5'" ' B' ' 9' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.577 0 O4'-C1'-N19 110.899 3.873 . . . . 1.18 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.574 " O5'" H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.967 1 O4'-C1'-N19 111.763 4.953 . . . . 1.39 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.025 1 O4'-C1'-N19 111.426 4.533 . . . . 1.12 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.472 H2'' " O5'" ' B' ' 12' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.845 1 O4'-C1'-N19 111.206 4.258 . . . . 1.07 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . 0.472 " O5'" H2'' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.937 1 O4'-C1'-N19 111.689 4.861 . . . . 0.86 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.724 1 O4'-C1'-N19 111.264 4.33 . . . . 0.83 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.448 1 O4'-C1'-N19 111.508 4.635 . . . . 0.82 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 0.43 H2'' " O5'" ' B' ' 16' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.534 2.845 0 O4'-C1'-N19 110.267 3.084 . . . . 1.22 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 0.43 " O5'" H2'' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.571 1 O4'-C1'-N19 111.139 4.174 . . . . 1.62 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.884 1 O4'-C1'-N19 111.274 4.342 . . . . 2.04 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . 0.831 ' H6 ' HO5' ' C' ' 18' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.327 0 O4'-C1'-N19 110.939 3.924 . . . . 1.88 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.707 0 O4'-C1'-N19 110.391 3.239 . . . . 1.56 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.604 1 O4'-C1'-N19 111.201 4.251 . . . . 1.36 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.4 H2'' " O5'" ' C' ' 22' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.699 1 O4'-C1'-N19 111.612 4.764 . . . . 0.97 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DA' . . . . . 0.4 " O5'" H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.534 2.858 0 O4'-C1'-N19 110.967 3.959 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.329 1 O4'-C1'-N19 111.952 5.19 . . . . 0.8 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.465 H2'' " O5'" ' C' ' 25' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.337 0 O4'-C1'-N19 110.272 3.09 . . . . 0.85 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ' DT' . . . . . 0.596 ' OP2' ' NZ ' ' A' ' 78' ' ' LYS . . . . . . . . 0 C5'--C4' 1.526 1.932 1 O4'-C1'-N19 111.959 5.199 . . . . 1.11 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.461 H2'' " O5'" ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.53 2.396 0 O4'-C1'-N19 110.934 3.918 . . . . 1.06 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.619 ' H42' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.918 0 O4'-C1'-N19 110.503 3.379 . . . . 1.17 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.541 " O5'" H2'' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.658 1 O4'-C1'-N19 111.129 4.161 . . . . 1.34 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.717 1 O4'-C1'-N19 112.027 5.284 . . . . 1.27 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ' DC' . . . . . 0.503 H2'' " O5'" ' C' ' 31' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.54 3.571 0 O4'-C1'-N19 110.637 3.546 . . . . 1.09 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ' DT' . . . . . 0.503 " O5'" H2'' ' C' ' 30' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.531 2.459 1 O4'-C1'-N19 111.613 4.766 . . . . 1.07 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.737 0 O4'-C1'-N19 110.275 3.094 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ' DG' . . . . . 0.516 H2'' " O5'" ' C' ' 34' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.481 1 O4'-C1'-N19 111.029 4.036 . . . . 1.44 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' ' DA' . . . . . 0.516 " O5'" H2'' ' C' ' 33' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.972 0 O4'-C1'-N19 110.885 3.856 . . . . 1.49 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 122.72 1.248 . . . . 3.18 108.575 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.57 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 0.6 OUTLIER -132.27 51.08 6.6 Favored Pre-proline 0 N--CA 1.487 1.378 0 N-CA-C 106.87 -1.53 . . . . 3.28 106.87 176.423 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.592 ' O ' ' N ' ' A' ' 16' ' ' LEU . 18.6 Cg_endo -63.61 -2.2 4.02 Favored 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 121.305 1.337 . . . . 3.31 109.237 -178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -54.51 -67.18 0.29 Allowed 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.096 -1.003 . . . . 3.18 108.425 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.24 -25.74 64.29 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.522 -0.736 . . . . 3.49 110.151 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.2 -34.83 23.86 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 120.914 -1.116 . . . . 3.41 109.217 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.624 HD13 ' OD1' ' A' ' 37' ' ' ASP . 23.3 mt -77.47 -49.77 14.07 Favored 'General case' 0 CA--C 1.482 -1.652 0 N-CA-C 106.613 -1.625 . . . . 3.71 106.613 178.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.781 ' C ' ' H ' ' A' ' 19' ' ' TYR . . . -60.66 -73.97 0.08 Allowed 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 104.854 -2.276 . . . . 3.19 104.854 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.43 6.67 0.3 Allowed Glycine 0 N--CA 1.494 2.522 0 N-CA-C 104.879 -3.288 . . . . 2.92 104.879 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.781 ' H ' ' C ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -72.05 113.83 9.51 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 102.189 -3.263 . . . . 3.89 102.189 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.571 ' O ' ' N ' ' A' ' 22' ' ' SER . 0.3 OUTLIER -74.8 -176.65 2.94 Favored 'General case' 0 C--N 1.286 -2.153 0 CA-C-O 122.303 1.049 . . . . 4.19 113.015 -171.651 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.17 50.21 0.26 Allowed Glycine 0 N--CA 1.475 1.296 0 N-CA-C 107.398 -2.281 . . . . 5.28 107.398 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.571 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.0 OUTLIER -86.77 49.85 1.89 Allowed 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 105.032 -2.21 . . . . 5.27 105.032 179.329 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.3 150.03 23.3 Favored Glycine 0 CA--C 1.538 1.469 0 N-CA-C 106.966 -2.453 . . . . 3.5 106.966 -177.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -53.85 149.35 33.92 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 N-CA-C 108.784 -1.275 . . . . 3.05 108.784 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.621 ' N ' ' OH ' ' A' ' 19' ' ' TYR . 6.9 tt -74.59 162.98 4.21 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 O-C-N 120.886 -1.134 . . . . 2.28 108.981 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.611 ' OE1' ' CD1' ' A' ' 28' ' ' TRP . 2.0 tm0? -82.47 135.71 35.07 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 106.099 -1.815 . . . . 1.18 106.099 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.619 HD23 ' C ' ' A' ' 27' ' ' LEU . 3.9 tt -42.97 -77.7 0.02 OUTLIER 'General case' 0 C--N 1.297 -1.698 0 O-C-N 121.421 -0.799 . . . . 1.76 111.372 -178.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.611 ' CD1' ' OE1' ' A' ' 26' ' ' GLN . 62.4 p-90 -56.84 -40.51 76.19 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.026 -1.046 . . . . 1.18 112.605 -175.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -52.17 -46.89 65.67 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.175 -1.578 . . . . 2.18 108.545 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -60.6 -56.57 19.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.293 -0.88 . . . . 0.8 108.971 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.6 tp -56.99 -43.62 81.92 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.541 -0.724 . . . . 1.45 109.147 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.6 tp -66.33 -35.63 80.86 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.294 -0.879 . . . . 1.6 109.622 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -68.62 -40.85 80.18 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.821 -1.174 . . . . 2.56 108.24 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.8 tp -71.11 -22.05 62.13 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.482 -0.761 . . . . 1.54 108.991 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.98 -70.96 0.23 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.224 -0.922 . . . . 1.5 109.634 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 30.5 p -74.56 57.45 0.73 Allowed 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.042 -1.466 . . . . 1.74 107.042 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.624 ' OD1' HD13 ' A' ' 16' ' ' LEU . 1.9 t70 -117.56 -131.55 0.31 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 113.493 0.923 . . . . 3.18 113.493 -175.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.603 ' HD3' ' N ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -61.5 -146.29 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.517 -0.739 . . . . 4.29 112.324 -175.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.585 ' H ' ' HG2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -64.93 -68.8 0.33 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.692 -1.255 . . . . 2.93 111.206 -176.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.603 ' N ' ' HD3' ' A' ' 38' ' ' LYS . 86.2 m 83.17 8.34 0.67 Allowed 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.84 0.828 . . . . 2.89 108.809 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -92.48 -33.25 14.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.514 -0.741 . . . . 2.48 109.168 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.84 -18.86 38.9 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.361 -0.837 . . . . 2.13 112.034 -177.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 14.5 m-85 -124.82 -2.85 7.76 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.794 -1.191 . . . . 1.41 110.477 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.454 HG12 ' H ' ' A' ' 45' ' ' SER . 6.9 tt -166.05 -168.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.596 0 C-N-CA 119.031 -1.068 . . . . 0.88 109.447 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.454 ' H ' HG12 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -129.01 116.07 18.77 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.99 -1.069 . . . . 1.4 110.867 -179.348 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.11 100.8 8.43 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 107.584 -1.265 . . . . 1.29 107.584 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -56.98 158.82 4.59 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.165 -1.584 . . . . 2.03 108.094 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.25 49.45 0.84 Allowed Glycine 0 N--CA 1.497 2.71 0 N-CA-C 108.377 -1.889 . . . . 2.12 108.377 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.456 ' HB3' ' H ' ' A' ' 50' ' ' GLY . 0.6 OUTLIER -129.23 -112.81 0.26 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.5 -1.0 . . . . 3.61 109.989 -178.836 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.456 ' H ' ' HB3' ' A' ' 49' ' ' ASP . . . -82.23 -95.42 0.51 Allowed Glycine 0 N--CA 1.49 2.286 0 O-C-N 120.396 -1.44 . . . . 1.57 110.419 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 25.5 t-105 -149.96 77.03 1.31 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.017 -1.284 . . . . 1.53 110.436 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.405 ' O ' HG23 ' A' ' 47' ' ' THR . 5.8 mt-10 -122.25 133.14 54.7 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.066 -1.457 . . . . 2.71 107.066 178.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -134.85 117.57 16.04 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.873 -1.142 . . . . 0.84 110.236 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.29 145.3 41.95 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-O 122.293 1.044 . . . . 2.49 109.611 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.514 HD22 ' OH ' ' A' ' 76' ' ' TYR . 10.1 mp -94.72 93.38 7.49 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 115.417 -0.81 . . . . 1.31 109.277 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.36 -56.81 4.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 1.71 110.23 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -139.4 77.1 30.03 Favored Pre-proline 0 N--CA 1.501 2.112 0 O-C-N 121.143 -0.973 . . . . 2.33 110.307 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -73.9 52.83 2.69 Favored 'Trans proline' 0 C--N 1.317 -1.082 0 C-N-CA 121.253 1.302 . . . . 0.93 108.944 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -71.23 -41.43 70.18 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.669 -1.269 . . . . 2.59 109.368 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -84.47 -38.04 20.61 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.122 -0.986 . . . . 2.41 109.107 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.44 -50.73 70.83 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.718 0 N-CA-C 108.893 -0.78 . . . . 0.76 108.893 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.84 -42.84 80.39 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.562 -0.711 . . . . 0.88 110.757 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.2 -27.13 53.46 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.18 -1.575 . . . . 3.7 110.189 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.422 ' NH2' HG12 ' A' ' 11' ' ' ILE . 56.0 mtt-85 -67.63 -40.18 84.63 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.245 -1.534 . . . . 3.93 107.457 176.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.529 ' CE2' HD21 ' A' ' 79' ' ' LEU . 7.5 t-105 -54.22 -45.73 72.33 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.67 -0.643 . . . . 0.78 110.117 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.91 -22.65 60.98 Favored Glycine 0 N--CA 1.492 2.378 0 C-N-CA 120.174 -1.012 . . . . 0.99 110.749 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -68.81 -41.89 78.04 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.927 -1.337 . . . . 2.74 109.814 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.448 ' HE ' ' HB3' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -51.99 -23.99 5.92 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.342 -0.849 . . . . 4.08 109.62 -179.092 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -102.41 22.78 12.85 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 121.551 0.691 . . . . 2.81 109.453 -178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 54.78 18.86 2.3 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.632 -0.667 . . . . 2.43 109.854 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -97.64 124.86 46.87 Favored Pre-proline 0 N--CA 1.49 1.525 0 N-CA-C 106.791 -1.559 . . . . 1.99 106.791 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -57.23 -58.65 0.81 Allowed 'Trans proline' 0 N--CA 1.48 0.729 0 C-N-CA 121.432 1.421 . . . . 2.75 113.279 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -130.11 135.73 48.53 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 122.42 1.105 . . . . 5.13 112.39 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.515 ' SD ' ' HD2' ' A' ' 78' ' ' LYS . 1.0 OUTLIER -134.7 115.38 13.71 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 115.091 -0.958 . . . . 2.4 109.037 177.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.9 p30 -61.98 167.65 3.7 Favored 'General case' 0 C--N 1.304 -1.388 0 C-N-CA 119.478 -0.889 . . . . 1.61 109.29 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.606 ' OH ' ' CZ ' ' A' ' 102' ' ' TYR . 66.3 t80 -74.26 -17.57 60.85 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.607 -0.683 . . . . 1.0 110.566 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -54.06 -34.4 59.98 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.996 -1.065 . . . . 2.58 108.966 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.596 ' NZ ' ' OP2' ' C' ' 25' ' ' ' DT' . 8.8 mtpt -52.99 -55.94 19.79 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 122.43 1.109 . . . . 4.5 111.052 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.529 HD21 ' CE2' ' A' ' 65' ' ' TRP . 35.6 mt -55.78 -46.82 77.88 Favored 'General case' 0 C--N 1.286 -2.178 0 N-CA-C 108.393 -0.965 . . . . 1.26 108.393 -177.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.46 ' CB ' ' OP2' ' B' ' 7' ' ' ' DC' . 0.2 OUTLIER -58.18 -17.43 18.67 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 107.195 -1.409 . . . . 1.37 107.195 176.294 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.619 ' NH1' ' H42' ' C' ' 27' ' ' ' DC' . 0.0 OUTLIER -89.41 -73.93 0.49 Allowed 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.526 0.679 . . . . 4.99 110.763 -178.372 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -67.38 -36.98 90.04 Favored Glycine 0 N--CA 1.487 2.062 0 N-CA-C 110.747 -0.941 . . . . 0.75 110.747 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.412 ' O ' ' CB ' ' A' ' 86' ' ' TYR . 1.0 OUTLIER -65.27 -40.44 93.91 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.93 -1.335 . . . . 1.45 108.05 -178.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.55 ' O ' ' N ' ' A' ' 86' ' ' TYR . 10.4 ttp180 -57.04 -65.02 0.69 Allowed 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.935 -1.135 . . . . 2.28 107.935 178.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.514 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 67.7 t80 -48.75 -8.97 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 O-C-N 120.873 -1.142 . . . . 1.1 110.325 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.55 ' N ' ' O ' ' A' ' 84' ' ' ARG . 4.6 t80 -76.75 10.57 2.13 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.091 -1.006 . . . . 1.1 111.55 -178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -76.2 29.65 0.12 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.45 -1.406 . . . . 1.47 108.949 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.452 ' H ' ' C ' ' A' ' 86' ' ' TYR . 0.9 OUTLIER -78.84 -33.46 45.95 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.828 -1.17 . . . . 2.61 109.456 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 42.2 mttt -122.72 154.36 38.22 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 121.907 0.86 . . . . 2.85 109.615 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -78.6 88.99 4.51 Favored 'General case' 0 C--N 1.29 -1.987 0 N-CA-C 107.169 -1.419 . . . . 2.67 107.169 178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.701 HG23 ' H ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -138.45 -61.14 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 C-N-CA 120.23 -0.588 . . . . 1.17 109.5 -179.101 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.701 ' H ' HG23 ' A' ' 91' ' ' ILE . 4.4 tt -127.13 122.16 59.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.043 -1.036 . . . . 1.08 109.912 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -116.49 140.84 48.93 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.121 -1.066 . . . . 1.52 108.121 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -86.13 152.83 22.53 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.837 -1.165 . . . . 2.9 108.851 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.703 HG22 ' H ' ' A' ' 97' ' ' GLY . 47.4 m -88.06 139.62 30.32 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.43 -0.794 . . . . 1.22 111.697 -176.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -82.97 15.63 2.67 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.702 -0.624 . . . . 1.76 109.461 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.703 ' H ' HG22 ' A' ' 95' ' ' THR . . . -77.58 -77.24 0.83 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 108.242 -1.943 . . . . 1.81 108.242 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.752 ' H ' HG21 ' A' ' 101' ' ' VAL . 7.4 tttp -110.75 -140.42 0.38 Allowed 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.705 -1.22 . . . . 3.32 107.705 178.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -124.28 -38.07 2.47 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.925 -1.109 . . . . 4.8 109.468 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -86.32 10.36 15.12 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.197 -0.94 . . . . 1.43 108.957 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.752 HG21 ' H ' ' A' ' 98' ' ' LYS . 1.2 m -90.79 116.06 31.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.326 -0.859 . . . . 1.33 109.083 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.606 ' CZ ' ' OH ' ' A' ' 76' ' ' TYR . 30.8 m-85 -112.29 159.64 18.45 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.107 -1.072 . . . . 1.0 108.107 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.435 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 1.0 OUTLIER -153.53 162.59 41.12 Favored 'General case' 0 C--N 1.299 -1.603 0 C-N-CA 119.231 -0.988 . . . . 2.99 109.536 -178.344 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.562 ' CE2' HD12 ' A' ' 92' ' ' ILE . 13.6 m-85 -135.06 151.13 50.48 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-O 121.575 0.703 . . . . 0.99 109.998 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.497 1.896 0 CA-C-O 117.944 -1.027 . . . . 1.72 108.547 -179.647 . . . . . . . . 1 1 . 1 stop_ save_