data_2e1x_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 2e1x _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 core ' A' A ' 30' ' ' CYS . . . . . 0.568 ' CA ' ' HA ' ' A' ' 39' ' ' VAL . 17.2 m . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.378 0.609 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.712 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -91.3 24.41 2.94 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.377 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -149.88 -43.51 0.13 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.638 -0.664 . . . . 0.0 110.917 -178.451 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.541 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 0.8 OUTLIER -79.72 -41.52 26.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.909 -1.119 . . . . 0.0 109.359 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.508 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 90.61 42.93 5.0 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.456 ' HB3' ' NE2' ' A' ' 38' ' ' HIS . 3.5 ttpt -145.15 147.41 32.47 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 120.933 -1.333 . . . . 0.0 111.096 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.497 ' O ' ' CD2' ' A' ' 38' ' ' HIS . 43.5 p -82.48 -171.15 3.31 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.313 -0.867 . . . . 0.0 110.324 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.499 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 75.85 -1.26 59.35 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 38' ' ' HIS . 0.4 OUTLIER 172.97 152.89 0.08 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.527 -0.984 . . . . 0.0 108.457 179.663 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.568 ' HA ' ' CA ' ' A' ' 30' ' ' CYS . 14.8 m -123.29 -164.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 C-N-CA 118.963 -1.095 . . . . 0.0 110.196 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.7 ttt -65.97 -16.73 64.14 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.181 -0.949 . . . . 0.0 109.217 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HB1' HG22 ' A' ' 39' ' ' VAL . . . -90.97 -28.69 17.87 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.737 -0.602 . . . . 0.0 109.92 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' H ' HG23 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -112.93 -11.78 13.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.91 . . . . 0.0 110.878 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.058 -1.026 . . . . 0.0 110.079 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.992 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 22.3 m . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.242 0.544 . . . . 0.0 109.794 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.598 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 22.3 m95 -91.76 11.51 24.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.361 -0.837 . . . . 0.0 108.747 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.1 -48.09 0.21 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.751 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.992 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 5.6 p -79.39 -41.23 28.2 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.734 -1.229 . . . . 0.0 110.597 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.508 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 85.56 45.51 5.77 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -147.65 157.13 43.41 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.315 -1.109 . . . . 0.0 110.01 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.7 p -86.48 -176.32 5.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.266 -0.896 . . . . 0.0 110.829 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.513 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 79.87 2.89 89.02 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.513 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER 173.49 167.01 0.17 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.538 -0.978 . . . . 0.0 109.169 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 43' ' ' CYS . 34.1 m -136.32 -162.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 O-C-N 121.439 -0.788 . . . . 0.0 110.089 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.586 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 26.0 ptm -72.22 -22.34 61.27 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.039 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.32 -15.13 29.57 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.69 -0.631 . . . . 0.0 109.875 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' H ' HG21 ' A' ' 39' ' ' VAL . 4.0 ttmt -128.98 0.63 5.29 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.229 -0.92 . . . . 0.0 111.143 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.945 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.78 0 O-C-N 120.981 -1.075 . . . . 0.0 110.478 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 1.387 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 1.4 p . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 121.342 0.591 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.714 ' N ' ' CD1' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -90.16 29.2 1.27 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -0.851 . . . . 0.0 109.81 -178.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.99 -37.99 0.05 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.001 -1.062 . . . . 0.0 111.746 -178.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 1.387 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 14.3 p -79.49 -38.29 34.8 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.725 -1.235 . . . . 0.0 110.351 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.505 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 92.34 45.07 3.87 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.527 ' HB3' ' NE2' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -145.61 145.86 31.13 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.204 -1.174 . . . . 0.0 110.084 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 p -92.09 -162.37 0.92 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.238 -0.914 . . . . 0.0 110.736 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 62.32 13.06 41.7 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.583 ' CD2' ' SG ' ' A' ' 43' ' ' CYS . 2.0 p-80 172.56 163.91 0.12 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.528 ' HA ' ' CA ' ' A' ' 30' ' ' CYS . 20.4 m -130.48 -169.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 O-C-N 121.104 -0.997 . . . . 0.0 110.615 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.559 ' HE3' ' CZ3' ' A' ' 31' ' ' TRP . 3.4 tmm? -64.14 -24.36 67.66 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.968 0.89 . . . . 0.0 108.907 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.81 -21.4 29.92 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.527 ' HA ' ' CE ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -103.63 -30.67 10.32 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.484 -0.76 . . . . 0.0 110.199 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.583 ' SG ' ' CD2' ' A' ' 38' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.319 -0.863 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.527 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 1.2 m . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.247 0.546 . . . . 0.0 110.625 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.593 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 25.6 m95 -92.14 14.23 16.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.361 -0.837 . . . . 0.0 109.478 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.564 ' CE ' ' N ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -157.2 -36.97 0.07 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.499 -0.75 . . . . 0.0 110.811 -177.556 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.564 ' N ' ' CE ' ' A' ' 32' ' ' LYS . 1.2 t -77.5 -42.51 35.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.199 -0.938 . . . . 0.0 108.581 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.462 ' O ' ' HG2' ' A' ' 35' ' ' LYS . . . 87.32 44.57 5.56 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.089 -1.205 . . . . 0.0 110.089 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 34' ' ' GLY . 9.5 mmmt -153.31 156.36 38.23 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.125 -1.221 . . . . 0.0 110.183 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.9 p -89.5 -169.18 2.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.276 -0.89 . . . . 0.0 110.522 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.521 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 74.2 1.95 61.39 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.381 -1.488 . . . . 0.0 109.381 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.552 ' ND1' ' O ' ' A' ' 38' ' ' HIS . 0.4 OUTLIER 173.83 132.32 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' A' ' 43' ' ' CYS . 5.8 m -106.11 -152.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.286 -2.186 0 O-C-N 121.068 -1.02 . . . . 0.0 109.239 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.427 ' C ' ' SD ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -71.48 -25.61 62.35 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 121.343 -0.848 . . . . 0.0 109.44 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.02 -30.1 26.4 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.663 -0.648 . . . . 0.0 109.613 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.429 ' H ' HG23 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -103.32 -18.07 15.02 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.385 -0.822 . . . . 0.0 110.366 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.116 -0.99 . . . . 0.0 110.471 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.544 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 120.979 0.419 . . . . 0.0 110.507 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.727 ' N ' ' CD1' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -89.68 8.49 31.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.046 -1.034 . . . . 0.0 108.449 179.377 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.39 -30.19 0.67 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.688 -0.633 . . . . 0.0 110.651 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.544 ' HB3' ' CB ' ' A' ' 30' ' ' CYS . 7.9 t -79.31 -34.02 42.72 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.0 110.31 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.27 16.45 64.57 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.23 167.73 16.45 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.392 -1.063 . . . . 0.0 110.003 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.6 p -107.6 -158.01 0.64 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.24 -0.913 . . . . 0.0 110.081 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.495 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 69.25 7.42 57.16 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.527 ' C ' ' CD2' ' A' ' 38' ' ' HIS . 2.9 p-80 177.72 -178.04 0.21 Allowed 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 43' ' ' CYS . 35.5 m -140.87 -164.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 O-C-N 121.055 -1.028 . . . . 0.0 111.116 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.6 ttt -81.32 -15.95 53.88 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.596 0.712 . . . . 0.0 109.204 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.02 -28.52 22.57 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.57 8.7 8.94 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 121.452 0.644 . . . . 0.0 109.618 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.731 0 O-C-N 121.45 -0.781 . . . . 0.0 110.91 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.515 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 120.978 0.418 . . . . 0.0 110.163 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.686 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.6 OUTLIER -88.43 6.85 35.59 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.253 -0.979 . . . . 0.0 108.822 179.296 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HG2' ' SD ' ' A' ' 40' ' ' MET . 4.0 ptpt -124.49 -58.97 1.49 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.406 -0.809 . . . . 0.0 111.535 -178.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.515 ' SG ' ' CB ' ' A' ' 30' ' ' CYS . 20.6 p -83.14 -36.76 24.51 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.835 -1.166 . . . . 0.0 111.01 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.466 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 90.97 55.62 1.84 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -142.39 154.68 44.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.252 -1.146 . . . . 0.0 109.976 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.4 p -92.72 -176.9 4.39 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.142 -0.974 . . . . 0.0 110.557 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 75.78 3.69 74.22 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 35' ' ' LYS . 8.4 p-80 176.68 144.28 0.08 Allowed 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.461 -1.023 . . . . 0.0 109.21 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.615 ' O ' ' N ' ' A' ' 43' ' ' CYS . 16.1 m -116.92 -167.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.128 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.6 ' HB3' ' CD2' ' A' ' 31' ' ' TRP . 9.1 tpt -62.62 -18.91 63.15 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.413 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -87.45 -30.84 20.37 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.246 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.44 ' H ' HG23 ' A' ' 39' ' ' VAL . 9.4 tppt? -119.77 0.09 10.82 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.928 -1.108 . . . . 0.0 110.782 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.615 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.771 0 O-C-N 121.349 -0.844 . . . . 0.0 110.887 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 1.45 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 59.4 m . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.414 0.626 . . . . 0.0 110.773 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.669 ' N ' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -90.5 16.28 9.24 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.31 -35.4 0.46 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.432 -0.793 . . . . 0.0 111.317 -178.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -82.14 -42.23 19.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.719 -1.238 . . . . 0.0 110.283 -179.714 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.468 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 96.64 42.27 3.42 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -150.57 162.78 39.98 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.116 -1.226 . . . . 0.0 110.322 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.8 p -100.16 173.0 6.83 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.197 -0.94 . . . . 0.0 110.469 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.552 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 92.23 16.79 49.12 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.552 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER 165.25 164.6 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.569 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 21.5 m -129.27 -172.24 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 120.845 -1.159 . . . . 0.0 110.83 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.582 ' HB3' ' CD2' ' A' ' 31' ' ' TRP . 3.2 ttt -70.54 -12.38 61.53 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.629 0.728 . . . . 0.0 109.208 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.448 ' HB1' HG22 ' A' ' 39' ' ' VAL . . . -87.66 -28.86 21.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.514 -0.741 . . . . 0.0 109.758 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.474 ' HG2' HG23 ' A' ' 39' ' ' VAL . 12.6 ptpt -128.12 1.42 5.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.981 -1.075 . . . . 0.0 111.576 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 1.45 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.89 0 O-C-N 120.642 -1.286 . . . . 0.0 109.968 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 1.167 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.141 0.496 . . . . 0.0 111.261 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.682 ' N ' ' CD1' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -91.08 -8.12 49.78 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.121 -0.987 . . . . 0.0 108.773 178.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.537 ' HD2' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -122.83 -36.02 2.95 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.673 -0.642 . . . . 0.0 110.331 -179.107 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.583 ' HB3' ' CB ' ' A' ' 30' ' ' CYS . 30.3 t -78.93 -32.58 45.65 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.269 -0.894 . . . . 0.0 109.327 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.96 36.66 57.12 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 108.486 -1.846 . . . . 0.0 108.486 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -137.9 163.33 31.73 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.404 -1.057 . . . . 0.0 110.655 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.2 p -102.33 -174.0 2.47 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.447 -0.783 . . . . 0.0 109.933 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.489 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 77.74 -0.88 69.55 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.508 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 55.0 p-80 177.1 161.52 0.44 Allowed 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 43' ' ' CYS . 7.9 m -133.26 -162.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.04 0 O-C-N 121.058 -1.026 . . . . 0.0 110.069 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.601 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 9.0 tpt -66.69 -20.8 66.05 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.695 0.759 . . . . 0.0 109.603 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.36 -32.7 26.09 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.655 -0.653 . . . . 0.0 109.485 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.438 ' H ' HG22 ' A' ' 39' ' ' VAL . 17.5 mtmt -108.73 -9.14 15.26 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.57 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 1.167 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.89 0 O-C-N 121.149 -0.969 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 1.104 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 9.3 m . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.356 0.598 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 20.1 m95 -90.3 -6.83 54.67 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.352 -0.843 . . . . 0.0 108.844 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.52 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -153.47 13.26 0.48 Allowed 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.625 -0.672 . . . . 0.0 110.833 -177.385 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 1.104 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -108.05 -35.1 6.69 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.076 -1.015 . . . . 0.0 109.273 179.61 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 35' ' ' LYS . . . 91.29 25.01 25.1 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 120.105 -1.045 . . . . 0.0 110.611 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 30' ' ' CYS . 14.0 mtmt -160.87 155.06 22.96 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.924 -1.339 . . . . 0.0 110.526 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.585 ' O ' ' CE1' ' A' ' 38' ' ' HIS . 12.0 p -88.39 -163.53 0.98 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.234 -0.916 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.506 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 82.04 4.8 90.14 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 167.89 149.33 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.475 ' O ' ' HB2' ' A' ' 43' ' ' CYS . 16.6 m -122.19 -161.27 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 O-C-N 121.036 -1.04 . . . . 0.0 110.188 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.57 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -65.23 -17.08 64.2 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.19 -0.944 . . . . 0.0 109.072 179.721 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.486 ' N ' ' HE3' ' A' ' 40' ' ' MET . . . -90.32 -27.96 19.07 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.737 -0.602 . . . . 0.0 109.485 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.97 -21.47 12.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.884 . . . . 0.0 111.306 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.5 2.047 0 O-C-N 121.182 -0.949 . . . . 0.0 110.747 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.738 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.452 0.644 . . . . 0.0 110.478 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.574 ' N ' ' CD1' ' A' ' 31' ' ' TRP . 24.3 m95 -92.27 -12.58 32.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.451 -0.78 . . . . 0.0 109.927 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.501 ' HE2' ' HB2' ' A' ' 31' ' ' TRP . 6.0 mmtt -108.59 -62.79 1.41 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.657 -0.652 . . . . 0.0 111.109 -177.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.738 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 14.5 p -77.54 -18.4 57.01 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.467 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.63 50.14 32.83 Favored Glycine 0 N--CA 1.483 1.831 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 30' ' ' CYS . 0.3 OUTLIER -136.41 143.57 44.02 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.407 -1.055 . . . . 0.0 110.292 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.4 p -84.23 -171.22 3.49 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.384 -0.823 . . . . 0.0 110.624 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 70.98 5.35 57.98 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.576 ' CD2' ' SG ' ' A' ' 43' ' ' CYS . 2.7 p-80 175.59 156.13 0.19 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.493 HG23 ' H ' ' A' ' 42' ' ' LYS . 32.4 m -126.64 -166.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 O-C-N 120.883 -1.136 . . . . 0.0 110.587 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.514 ' HG3' ' N ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -69.32 -20.01 63.88 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.25 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.514 ' N ' ' HG3' ' A' ' 40' ' ' MET . . . -86.16 -24.83 26.02 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.62 -0.675 . . . . 0.0 109.43 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.493 ' H ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -106.27 -32.4 8.2 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.227 -0.921 . . . . 0.0 110.047 179.68 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.576 ' SG ' ' CD2' ' A' ' 38' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.562 ' SG ' ' CB ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.036 0.446 . . . . 0.0 110.491 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.725 ' N ' ' CD1' ' A' ' 31' ' ' TRP . 1.1 m0 -90.43 9.63 28.37 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.978 -1.076 . . . . 0.0 108.603 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.48 ' HG2' ' SD ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -144.37 -37.39 0.31 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.529 -0.732 . . . . 0.0 110.611 -178.809 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.466 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -78.94 -54.06 6.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.344 -0.848 . . . . 0.0 109.193 179.811 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.41 57.1 0.63 Allowed Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.944 -1.122 . . . . 0.0 110.51 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.451 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -160.1 141.57 12.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.167 -1.196 . . . . 0.0 110.641 179.479 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.53 -179.51 6.64 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.471 -0.768 . . . . 0.0 110.335 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 82.85 0.99 90.57 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.581 ' CD2' ' SG ' ' A' ' 43' ' ' CYS . 3.1 p-80 177.25 153.09 0.23 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.469 -1.018 . . . . 0.0 108.748 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.527 ' CG2' ' HB2' ' A' ' 41' ' ' ALA . 6.4 m -130.96 -164.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 O-C-N 121.128 -0.982 . . . . 0.0 110.608 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.48 ' SD ' ' HG2' ' A' ' 32' ' ' LYS . 1.7 mtm -59.22 -26.4 64.83 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 122.227 1.013 . . . . 0.0 108.799 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.527 ' HB2' ' CG2' ' A' ' 39' ' ' VAL . . . -81.65 -26.87 34.42 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.039 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.421 ' H ' HG21 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -108.72 -23.29 11.85 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.139 -0.976 . . . . 0.0 110.986 -179.648 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.581 ' SG ' ' CD2' ' A' ' 38' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.136 -0.977 . . . . 0.0 110.896 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.637 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 40.3 m . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.457 0.646 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.607 ' N ' ' CD1' ' A' ' 31' ' ' TRP . 13.6 m95 -90.81 -2.24 57.79 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.11 1.64 0.11 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 119.616 -0.834 . . . . 0.0 112.462 -176.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -95.45 -38.13 10.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.501 -1.374 . . . . 0.0 109.423 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.477 ' O ' ' HG2' ' A' ' 35' ' ' LYS . . . 84.92 34.62 14.68 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 178.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 34' ' ' GLY . 12.0 mttt -151.94 144.38 24.11 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.019 -1.283 . . . . 0.0 111.116 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.9 p -85.42 153.04 22.77 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.742 -0.599 . . . . 0.0 110.185 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.481 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 118.42 0.79 16.06 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.557 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 0.9 OUTLIER 176.26 176.4 0.27 Allowed 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.291 -1.123 . . . . 0.0 109.025 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.637 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 34.0 m -141.67 -171.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 120.988 -1.07 . . . . 0.0 111.489 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.0 ttt -70.46 -10.4 59.04 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 121.691 0.758 . . . . 0.0 109.408 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.02 -30.86 17.47 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.665 -0.647 . . . . 0.0 109.548 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' A' ' 38' ' ' HIS . 0.7 OUTLIER -123.19 -6.24 8.32 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 119.069 -1.053 . . . . 0.0 111.759 -179.592 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 39' ' ' VAL . 34.6 t . . . . . 0 N--CA 1.499 1.983 0 O-C-N 120.762 -1.211 . . . . 0.0 110.062 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.341 0.591 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.09 159.71 26.58 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.321 -0.862 . . . . 0.0 110.54 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -74.38 71.02 4.66 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 O-C-N 124.118 1.589 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -73.1 -29.89 63.25 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.203 -0.936 . . . . 0.0 110.248 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.27 12.42 5.35 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.379 -0.825 . . . . 0.0 110.321 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 49.25 78.66 0.09 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.173 -0.954 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.534 ' CA ' ' O ' ' A' ' 35' ' ' LYS . . . 94.55 -173.91 32.92 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.568 ' CA ' ' HA ' ' A' ' 39' ' ' VAL . 17.2 m -65.9 159.04 26.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.369 -1.077 . . . . 0.0 110.122 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.712 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -91.3 24.41 2.94 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.377 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.527 ' NZ ' ' HG3' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -149.88 -43.51 0.13 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.638 -0.664 . . . . 0.0 110.917 -178.451 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -79.72 -41.52 26.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.909 -1.119 . . . . 0.0 109.359 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.508 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 90.61 42.93 5.0 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 3.5 ttpt -145.15 147.41 32.47 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 120.933 -1.333 . . . . 0.0 111.096 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.497 ' O ' ' CD2' ' A' ' 38' ' ' HIS . 43.5 p -82.48 -171.15 3.31 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.313 -0.867 . . . . 0.0 110.324 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.499 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 75.85 -1.26 59.35 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 38' ' ' HIS . 0.4 OUTLIER 172.97 152.89 0.08 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.527 -0.984 . . . . 0.0 108.457 179.663 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.568 ' HA ' ' CA ' ' A' ' 30' ' ' CYS . 14.8 m -123.29 -164.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 C-N-CA 118.963 -1.095 . . . . 0.0 110.196 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.7 ttt -65.97 -16.73 64.14 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.181 -0.949 . . . . 0.0 109.217 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' HB1' HG22 ' A' ' 39' ' ' VAL . . . -90.97 -28.69 17.87 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.737 -0.602 . . . . 0.0 109.92 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' H ' HG23 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -112.93 -11.78 13.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.91 . . . . 0.0 110.878 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -48.68 167.29 0.21 Allowed Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.058 -1.026 . . . . 0.0 110.079 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -77.49 -13.25 16.66 Favored 'Trans proline' 0 C--N 1.303 -1.856 0 O-C-N 124.138 1.599 . . . . 0.0 111.116 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.527 ' HG3' ' NZ ' ' A' ' 32' ' ' LYS . 3.4 pt-20 -132.2 77.31 1.75 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.825 -1.172 . . . . 0.0 110.708 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 48' ' ' ALA . 7.2 ptt85 -115.79 44.21 1.95 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.361 -0.837 . . . . 0.0 109.851 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.426 ' HB3' ' O ' ' A' ' 46' ' ' ARG . 2.4 tt0 55.57 -89.05 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.182 -0.949 . . . . 0.0 110.224 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . 62.15 62.93 1.13 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.262 -0.898 . . . . 0.0 110.234 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 121.202 0.525 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.34 162.67 65.53 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.312 -0.868 . . . . 0.0 110.325 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.68 76.06 2.47 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 O-C-N 123.985 1.518 . . . . 0.0 110.522 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.531 ' HD2' ' N ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -69.39 -6.04 27.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.168 -0.958 . . . . 0.0 110.292 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 28' ' ' GLN . 20.0 mtm-85 -64.29 -46.55 83.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.205 -0.934 . . . . 0.0 110.276 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 6.3 mm100 55.52 85.06 0.07 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.293 -0.879 . . . . 0.0 110.673 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.02 110.62 2.2 Favored Glycine 0 N--CA 1.49 2.282 0 C-N-CA 119.673 -1.251 . . . . 0.0 110.122 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' HA ' ' A' ' 39' ' ' VAL . 22.3 m -54.73 173.4 0.08 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.382 -1.07 . . . . 0.0 109.794 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.598 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 22.3 m95 -91.76 11.51 24.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.361 -0.837 . . . . 0.0 108.747 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.1 -48.09 0.21 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.751 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 5.6 p -79.39 -41.23 28.2 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.734 -1.229 . . . . 0.0 110.597 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.508 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 85.56 45.51 5.77 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -147.65 157.13 43.41 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.315 -1.109 . . . . 0.0 110.01 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.7 p -86.48 -176.32 5.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.266 -0.896 . . . . 0.0 110.829 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.513 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 79.87 2.89 89.02 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.513 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER 173.49 167.01 0.17 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.538 -0.978 . . . . 0.0 109.169 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.525 ' O ' ' N ' ' A' ' 43' ' ' CYS . 34.1 m -136.32 -162.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 O-C-N 121.439 -0.788 . . . . 0.0 110.089 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.586 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 26.0 ptm -72.22 -22.34 61.27 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.039 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.32 -15.13 29.57 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.69 -0.631 . . . . 0.0 109.875 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' H ' HG21 ' A' ' 39' ' ' VAL . 4.0 ttmt -128.98 0.63 5.29 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.229 -0.92 . . . . 0.0 111.143 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -62.39 132.54 94.21 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 120.981 -1.075 . . . . 0.0 110.478 -179.586 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -77.28 3.09 7.02 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 O-C-N 123.967 1.509 . . . . 0.0 110.206 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -99.7 53.76 0.93 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 0.0 110.316 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.97 -46.32 57.8 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.159 -0.963 . . . . 0.0 109.866 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -171.9 36.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.497 -0.752 . . . . 0.0 109.741 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -112.04 5.68 18.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.381 -0.825 . . . . 0.0 110.313 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.381 0 CA-C-O 118.01 -1.439 . . . . 0.0 109.761 179.889 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 24' ' ' ALA . 2.9 ttm180 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.248 0.547 . . . . 0.0 110.202 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' O ' ' O ' ' A' ' 23' ' ' ARG . . . 59.05 155.07 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.241 -0.912 . . . . 0.0 110.111 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.479 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 51.0 Cg_endo -77.5 7.44 3.81 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 O-C-N 124.109 1.584 . . . . 0.0 110.964 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.479 ' HB2' ' O ' ' A' ' 25' ' ' PRO . 3.0 mtt180 58.14 124.84 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.323 -0.861 . . . . 0.0 110.607 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 43.9 25.12 0.09 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.266 -0.896 . . . . 0.0 110.438 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.427 ' HA ' ' HG2' ' A' ' 25' ' ' PRO . 40.8 mt-30 53.67 68.17 0.89 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.174 -0.954 . . . . 0.0 110.704 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 35' ' ' LYS . . . 107.12 161.92 21.8 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.528 ' CA ' ' HA ' ' A' ' 39' ' ' VAL . 1.4 p -39.99 154.61 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.442 -1.034 . . . . 0.0 110.387 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.714 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -90.16 29.2 1.27 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -0.851 . . . . 0.0 109.81 -178.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.99 -37.99 0.05 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.001 -1.062 . . . . 0.0 111.746 -178.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 14.3 p -79.49 -38.29 34.8 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.725 -1.235 . . . . 0.0 110.351 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.505 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 92.34 45.07 3.87 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.527 ' HB3' ' NE2' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -145.61 145.86 31.13 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.204 -1.174 . . . . 0.0 110.084 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.415 ' HA ' ' HA2' ' A' ' 29' ' ' GLY . 40.4 p -92.09 -162.37 0.92 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.238 -0.914 . . . . 0.0 110.736 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.527 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 62.32 13.06 41.7 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.527 ' NE2' ' HB3' ' A' ' 35' ' ' LYS . 2.0 p-80 172.56 163.91 0.12 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.528 ' HA ' ' CA ' ' A' ' 30' ' ' CYS . 20.4 m -130.48 -169.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 O-C-N 121.104 -0.997 . . . . 0.0 110.615 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.559 ' HE3' ' CZ3' ' A' ' 31' ' ' TRP . 3.4 tmm? -64.14 -24.36 67.66 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.968 0.89 . . . . 0.0 108.907 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.81 -21.4 29.92 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.527 ' CE ' ' HA ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -103.63 -30.67 10.32 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.484 -0.76 . . . . 0.0 110.199 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -86.06 109.08 20.02 Favored Pre-proline 0 N--CA 1.496 1.827 0 O-C-N 121.319 -0.863 . . . . 0.0 110.376 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.527 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 44.2 Cg_endo -70.91 59.04 2.17 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 124.035 1.545 . . . . 0.0 110.285 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 44' ' ' PRO . 5.8 pt-20 38.3 34.79 0.08 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.539 -0.726 . . . . 0.0 110.699 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.525 ' CD ' ' HD2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -69.47 132.17 45.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 0.0 110.11 179.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' ARG . 5.1 mt-30 42.85 46.58 4.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.198 -0.939 . . . . 0.0 110.362 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -128.49 36.84 4.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.175 -0.953 . . . . 0.0 110.032 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.272 0.558 . . . . 0.0 110.261 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 23' ' ' ARG . . . 57.61 108.05 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.296 -0.877 . . . . 0.0 110.207 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.42 53.42 2.17 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 O-C-N 123.977 1.514 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -78.73 -120.09 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.081 -1.012 . . . . 0.0 109.799 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER 56.17 44.23 25.41 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.822 -1.174 . . . . 0.0 110.575 179.735 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' ARG . 2.5 tt0 39.73 67.94 0.42 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.309 -0.869 . . . . 0.0 110.789 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 40.66 -160.4 0.02 OUTLIER Glycine 0 N--CA 1.491 2.331 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.527 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 1.2 m -65.7 149.27 50.4 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.46 -1.024 . . . . 0.0 110.625 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.593 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 25.6 m95 -92.14 14.23 16.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.361 -0.837 . . . . 0.0 109.478 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.564 ' CE ' ' N ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -157.2 -36.97 0.07 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.499 -0.75 . . . . 0.0 110.811 -177.556 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.564 ' N ' ' CE ' ' A' ' 32' ' ' LYS . 1.2 t -77.5 -42.51 35.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.199 -0.938 . . . . 0.0 108.581 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.462 ' O ' ' HG2' ' A' ' 35' ' ' LYS . . . 87.32 44.57 5.56 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.089 -1.205 . . . . 0.0 110.089 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 34' ' ' GLY . 9.5 mmmt -153.31 156.36 38.23 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.125 -1.221 . . . . 0.0 110.183 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.9 p -89.5 -169.18 2.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.276 -0.89 . . . . 0.0 110.522 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.521 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 74.2 1.95 61.39 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.381 -1.488 . . . . 0.0 109.381 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.552 ' ND1' ' O ' ' A' ' 38' ' ' HIS . 0.4 OUTLIER 173.83 132.32 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.491 ' O ' ' N ' ' A' ' 43' ' ' CYS . 5.8 m -106.11 -152.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.286 -2.186 0 O-C-N 121.068 -1.02 . . . . 0.0 109.239 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.427 ' C ' ' SD ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -71.48 -25.61 62.35 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 121.343 -0.848 . . . . 0.0 109.44 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.02 -30.1 26.4 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.663 -0.648 . . . . 0.0 109.613 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.429 ' H ' HG23 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -103.32 -18.07 15.02 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.385 -0.822 . . . . 0.0 110.366 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -48.5 174.47 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.116 -0.99 . . . . 0.0 110.471 -179.649 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 43' ' ' CYS . 44.0 Cg_endo -70.86 -12.9 31.46 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 O-C-N 124.164 1.613 . . . . 0.0 110.332 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -67.63 -21.81 65.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.269 -0.894 . . . . 0.0 109.695 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.527 ' N ' ' HD3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -52.71 141.94 19.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.362 -0.836 . . . . 0.0 110.838 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 46' ' ' ARG . 1.5 tt0 39.34 41.7 0.71 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.451 -0.78 . . . . 0.0 110.507 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.51 173.91 11.16 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.184 -0.948 . . . . 0.0 110.339 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 CA-C-O 117.902 -1.499 . . . . 0.0 109.503 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.338 0.589 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.13 137.09 25.17 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.313 -0.867 . . . . 0.0 109.951 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ARG . 47.7 Cg_endo -72.74 -16.65 26.45 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 O-C-N 123.914 1.481 . . . . 0.0 110.593 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.47 ' HB3' ' O ' ' A' ' 25' ' ' PRO . 3.1 ttm-85 60.76 -74.75 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.379 -0.826 . . . . 0.0 110.277 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 25' ' ' PRO . 1.8 mpt_? -47.5 163.25 0.05 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.141 -0.975 . . . . 0.0 110.371 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 3.6 pt20 -92.69 62.33 3.78 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.18 -0.95 . . . . 0.0 110.537 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' A' ' 36' ' ' THR . . . 63.44 -138.53 43.14 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.517 ' SG ' ' CD2' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -83.57 139.19 33.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.603 -0.94 . . . . 0.0 110.507 -179.524 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.727 ' N ' ' CD1' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -89.68 8.49 31.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.046 -1.034 . . . . 0.0 108.449 179.377 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.39 -30.19 0.67 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.688 -0.633 . . . . 0.0 110.651 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 7.9 t -79.31 -34.02 42.72 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.0 110.31 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.27 16.45 64.57 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.23 167.73 16.45 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.392 -1.063 . . . . 0.0 110.003 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.451 ' HA ' ' HA3' ' A' ' 29' ' ' GLY . 20.6 p -107.6 -158.01 0.64 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.24 -0.913 . . . . 0.0 110.081 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.495 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 69.25 7.42 57.16 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.527 ' C ' ' CD2' ' A' ' 38' ' ' HIS . 2.9 p-80 177.72 -178.04 0.21 Allowed 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.533 ' O ' ' N ' ' A' ' 43' ' ' CYS . 35.5 m -140.87 -164.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 O-C-N 121.055 -1.028 . . . . 0.0 111.116 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.6 ttt -81.32 -15.95 53.88 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.596 0.712 . . . . 0.0 109.204 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.02 -28.52 22.57 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.57 8.7 8.94 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 121.452 0.644 . . . . 0.0 109.618 179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -45.39 117.35 3.45 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.45 -0.781 . . . . 0.0 110.91 -179.73 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -82.6 8.68 4.42 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 O-C-N 123.935 1.492 . . . . 0.0 110.089 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.5 68.65 0.69 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.242 -0.911 . . . . 0.0 110.421 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.78 -31.08 7.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.266 -0.896 . . . . 0.0 110.118 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.63 57.49 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -0.9 . . . . 0.0 109.943 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.95 -45.03 1.75 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.222 -0.923 . . . . 0.0 109.878 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 179.842 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.309 0.576 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -140.76 166.89 19.78 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.319 -0.863 . . . . 0.0 110.163 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.515 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 46.7 Cg_endo -74.87 -62.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 O-C-N 123.946 1.498 . . . . 0.0 110.281 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER 65.93 154.02 0.08 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.92 . . . . 0.0 110.431 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' ARG . 1.0 OUTLIER 41.37 -97.15 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.363 -0.836 . . . . 0.0 110.425 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -173.75 68.57 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.958 -1.089 . . . . 0.0 110.624 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.04 169.55 45.96 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -54.81 150.22 10.18 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.484 -1.01 . . . . 0.0 110.163 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.686 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.6 OUTLIER -88.43 6.85 35.59 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.253 -0.979 . . . . 0.0 108.822 179.296 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HG2' ' SD ' ' A' ' 40' ' ' MET . 4.0 ptpt -124.49 -58.97 1.49 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.406 -0.809 . . . . 0.0 111.535 -178.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 20.6 p -83.14 -36.76 24.51 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.835 -1.166 . . . . 0.0 111.01 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.466 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 90.97 55.62 1.84 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -142.39 154.68 44.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.252 -1.146 . . . . 0.0 109.976 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.4 p -92.72 -176.9 4.39 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.142 -0.974 . . . . 0.0 110.557 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 75.78 3.69 74.22 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.573 ' CE1' ' HB3' ' A' ' 35' ' ' LYS . 8.4 p-80 176.68 144.28 0.08 Allowed 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.461 -1.023 . . . . 0.0 109.21 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.615 ' O ' ' N ' ' A' ' 43' ' ' CYS . 16.1 m -116.92 -167.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.128 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.6 ' HB3' ' CD2' ' A' ' 31' ' ' TRP . 9.1 tpt -62.62 -18.91 63.15 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.413 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -87.45 -30.84 20.37 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.246 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.44 ' H ' HG23 ' A' ' 39' ' ' VAL . 9.4 tppt? -119.77 0.09 10.82 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.928 -1.108 . . . . 0.0 110.782 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.615 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -39.83 144.5 0.51 Allowed Pre-proline 0 N--CA 1.494 1.771 0 O-C-N 121.349 -0.844 . . . . 0.0 110.887 -179.546 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.553 ' HD3' ' CG ' ' A' ' 38' ' ' HIS . 47.6 Cg_endo -76.6 -32.6 3.57 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 124.151 1.606 . . . . 0.0 110.254 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 46' ' ' ARG . 30.2 tt0 -88.89 24.85 1.94 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.405 -0.81 . . . . 0.0 110.03 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -58.06 -117.55 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.378 -0.826 . . . . 0.0 110.254 -179.812 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.455 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -67.53 62.36 0.07 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.779 -1.201 . . . . 0.0 110.09 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . -129.62 18.1 5.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.231 -0.918 . . . . 0.0 110.135 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.382 0 CA-C-O 117.974 -1.459 . . . . 0.0 109.52 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 24' ' ' ALA . 7.2 mtp180 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.107 0.479 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 23' ' ' ARG . . . 49.52 98.37 0.04 OUTLIER Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.101 -1.0 . . . . 0.0 110.236 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.09 -43.84 0.68 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 O-C-N 124.023 1.538 . . . . 0.0 110.056 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.515 ' CG ' ' HG2' ' A' ' 27' ' ' ARG . 1.9 ttt85 -162.95 131.62 3.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.413 -0.804 . . . . 0.0 109.88 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.515 ' HG2' ' CG ' ' A' ' 26' ' ' ARG . 18.8 mmm180 51.84 -140.49 0.89 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.167 -0.958 . . . . 0.0 109.809 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.5 62.89 1.23 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.109 -0.994 . . . . 0.0 109.819 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.19 -137.3 6.42 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 59.4 m -68.59 136.19 52.65 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.438 -1.036 . . . . 0.0 110.773 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.669 ' N ' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -90.5 16.28 9.24 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.31 -35.4 0.46 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.432 -0.793 . . . . 0.0 111.317 -178.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -82.14 -42.23 19.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.719 -1.238 . . . . 0.0 110.283 -179.714 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.468 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 96.64 42.27 3.42 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -150.57 162.78 39.98 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.116 -1.226 . . . . 0.0 110.322 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.8 p -100.16 173.0 6.83 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.197 -0.94 . . . . 0.0 110.469 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.552 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 92.23 16.79 49.12 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.552 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER 165.25 164.6 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.569 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 21.5 m -129.27 -172.24 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 120.845 -1.159 . . . . 0.0 110.83 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.582 ' HB3' ' CD2' ' A' ' 31' ' ' TRP . 3.2 ttt -70.54 -12.38 61.53 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.629 0.728 . . . . 0.0 109.208 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.448 ' HB1' HG22 ' A' ' 39' ' ' VAL . . . -87.66 -28.86 21.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.514 -0.741 . . . . 0.0 109.758 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.474 ' HG2' HG23 ' A' ' 39' ' ' VAL . 12.6 ptpt -128.12 1.42 5.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.981 -1.075 . . . . 0.0 111.576 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.511 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -53.54 126.44 47.71 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 120.642 -1.286 . . . . 0.0 109.968 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -83.08 21.68 1.0 Allowed 'Trans proline' 0 C--N 1.306 -1.698 0 O-C-N 123.911 1.48 . . . . 0.0 110.795 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -63.36 -17.86 63.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.03 -1.044 . . . . 0.0 110.147 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.14 112.23 3.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.37 70.11 0.52 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -0.846 . . . . 0.0 110.447 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -164.26 136.5 4.79 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.289 -0.882 . . . . 0.0 110.164 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 CA-C-O 118.008 -1.44 . . . . 0.0 109.575 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.467 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.237 0.541 . . . . 0.0 110.292 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.524 ' N ' ' HD2' ' A' ' 25' ' ' PRO . . . 169.93 -54.57 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.143 -0.973 . . . . 0.0 110.581 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 24' ' ' ALA . 45.9 Cg_endo -73.58 -0.74 9.73 Favored 'Trans proline' 0 C--N 1.307 -1.628 0 O-C-N 123.873 1.46 . . . . 0.0 110.906 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' A' ' 25' ' ' PRO . 18.4 ttt180 64.14 135.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.168 -0.958 . . . . 0.0 110.231 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 47.4 -152.79 0.08 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.298 -0.876 . . . . 0.0 110.828 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 4.9 tt0 -91.29 73.2 6.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.246 -0.908 . . . . 0.0 110.706 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.489 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 31.18 -111.1 0.04 OUTLIER Glycine 0 N--CA 1.497 2.752 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.582 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -82.62 137.15 34.6 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.436 -1.037 . . . . 0.0 111.261 -179.352 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.682 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -91.08 -8.12 49.78 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.121 -0.987 . . . . 0.0 108.773 178.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.537 ' HD2' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -122.83 -36.02 2.95 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.673 -0.642 . . . . 0.0 110.331 -179.107 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.582 ' HB3' ' CB ' ' A' ' 30' ' ' CYS . 30.3 t -78.93 -32.58 45.65 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.269 -0.894 . . . . 0.0 109.327 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.96 36.66 57.12 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 108.486 -1.846 . . . . 0.0 108.486 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -137.9 163.33 31.73 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.404 -1.057 . . . . 0.0 110.655 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.2 p -102.33 -174.0 2.47 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.447 -0.783 . . . . 0.0 109.933 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.489 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 77.74 -0.88 69.55 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.489 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 55.0 p-80 177.1 161.52 0.44 Allowed 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 43' ' ' CYS . 7.9 m -133.26 -162.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.04 0 O-C-N 121.058 -1.026 . . . . 0.0 110.069 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.601 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 9.0 tpt -66.69 -20.8 66.05 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.695 0.759 . . . . 0.0 109.603 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.36 -32.7 26.09 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.655 -0.653 . . . . 0.0 109.485 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.438 ' H ' HG22 ' A' ' 39' ' ' VAL . 17.5 mtmt -108.73 -9.14 15.26 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.57 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.538 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -48.46 114.04 3.28 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 121.149 -0.969 . . . . 0.0 110.895 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -81.34 9.43 3.87 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 O-C-N 123.893 1.47 . . . . 0.0 109.747 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.98 -8.38 55.42 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.247 -0.908 . . . . 0.0 110.838 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.91 -158.12 0.65 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.135 -0.978 . . . . 0.0 110.198 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -48.6 -28.4 3.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.291 -0.881 . . . . 0.0 110.188 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.61 60.24 0.15 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.263 -0.898 . . . . 0.0 110.212 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 CA-C-O 118.016 -1.436 . . . . 0.0 109.699 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' C ' ' CD ' ' A' ' 25' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.213 0.53 . . . . 0.0 110.306 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.578 ' N ' ' CD ' ' A' ' 25' ' ' PRO . . . -124.75 48.05 2.33 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.215 -0.928 . . . . 0.0 110.594 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 24' ' ' ALA . 46.0 Cg_endo -72.89 78.36 2.15 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 O-C-N 123.895 1.471 . . . . 0.0 110.022 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER 51.28 -156.93 0.12 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.173 -0.954 . . . . 0.0 109.845 -179.713 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' ARG . 0.6 OUTLIER -43.71 151.53 0.19 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.939 . . . . 0.0 109.563 179.672 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.539 ' HB2' ' CZ2' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -43.48 144.78 0.69 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.164 -0.96 . . . . 0.0 109.811 -179.82 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 31' ' ' TRP . . . -56.02 -164.16 0.03 OUTLIER Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.482 ' SG ' ' CB ' ' A' ' 33' ' ' CYS . 9.3 m -41.6 123.68 2.28 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.298 -1.119 . . . . 0.0 110.081 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 20.1 m95 -90.3 -6.83 54.67 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.352 -0.843 . . . . 0.0 108.844 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.52 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -153.47 13.26 0.48 Allowed 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.625 -0.672 . . . . 0.0 110.833 -177.385 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.482 ' CB ' ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -108.05 -35.1 6.69 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.076 -1.015 . . . . 0.0 109.273 179.61 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 35' ' ' LYS . . . 91.29 25.01 25.1 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 120.105 -1.045 . . . . 0.0 110.611 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 30' ' ' CYS . 14.0 mtmt -160.87 155.06 22.96 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.924 -1.339 . . . . 0.0 110.526 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.585 ' O ' ' CE1' ' A' ' 38' ' ' HIS . 12.0 p -88.39 -163.53 0.98 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.234 -0.916 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.506 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 82.04 4.8 90.14 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 167.89 149.33 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.475 ' O ' ' HB2' ' A' ' 43' ' ' CYS . 16.6 m -122.19 -161.27 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 O-C-N 121.036 -1.04 . . . . 0.0 110.188 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.57 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -65.23 -17.08 64.2 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.19 -0.944 . . . . 0.0 109.072 179.721 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.486 ' N ' ' HE3' ' A' ' 40' ' ' MET . . . -90.32 -27.96 19.07 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.737 -0.602 . . . . 0.0 109.485 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.52 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -108.97 -21.47 12.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.884 . . . . 0.0 111.306 -179.701 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.475 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -90.85 108.31 26.87 Favored Pre-proline 0 N--CA 1.5 2.047 0 O-C-N 121.182 -0.949 . . . . 0.0 110.747 -179.67 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 42' ' ' LYS . 48.5 Cg_endo -96.62 62.72 0.13 Allowed 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 121.778 1.652 . . . . 0.0 110.856 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 46' ' ' ARG . 1.6 tt0 -130.76 -42.14 1.15 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.775 -1.203 . . . . 0.0 110.819 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.528 ' C ' ' O ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER 20.03 49.75 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 45' ' ' GLU . 1.1 mp0 41.92 29.92 0.15 Allowed 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.161 0.981 . . . . 0.0 108.512 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . -84.87 -67.36 0.8 Allowed 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.671 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 CA-C-O 118.002 -1.444 . . . . 0.0 109.552 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.453 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.417 0.627 . . . . 0.0 110.366 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 57.22 171.9 0.05 OUTLIER Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.193 -0.942 . . . . 0.0 110.432 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -74.73 83.61 1.74 Allowed 'Trans proline' 0 C--N 1.303 -1.84 0 O-C-N 124.327 1.698 . . . . 0.0 110.075 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.41 6.95 4.89 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.284 -0.885 . . . . 0.0 110.884 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.461 ' O ' ' CZ2' ' A' ' 31' ' ' TRP . 18.7 mtt-85 -75.12 3.77 8.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.121 -0.987 . . . . 0.0 110.104 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER 62.69 61.82 1.15 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.385 -0.822 . . . . 0.0 109.602 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 41.99 -144.16 0.96 Allowed Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.544 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -85.61 147.05 26.58 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.464 -1.021 . . . . 0.0 110.478 -179.772 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.574 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 24.3 m95 -92.27 -12.58 32.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.451 -0.78 . . . . 0.0 109.927 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.501 ' HE2' ' HB2' ' A' ' 31' ' ' TRP . 6.0 mmtt -108.59 -62.79 1.41 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.657 -0.652 . . . . 0.0 111.109 -177.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.544 ' SG ' ' CB ' ' A' ' 30' ' ' CYS . 14.5 p -77.54 -18.4 57.01 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.467 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.63 50.14 32.83 Favored Glycine 0 N--CA 1.483 1.831 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 30' ' ' CYS . 0.3 OUTLIER -136.41 143.57 44.02 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.407 -1.055 . . . . 0.0 110.292 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.4 p -84.23 -171.22 3.49 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.384 -0.823 . . . . 0.0 110.624 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.488 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 70.98 5.35 57.98 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 38' ' ' HIS . 2.7 p-80 175.59 156.13 0.19 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.493 HG23 ' H ' ' A' ' 42' ' ' LYS . 32.4 m -126.64 -166.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 O-C-N 120.883 -1.136 . . . . 0.0 110.587 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.514 ' HG3' ' N ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -69.32 -20.01 63.88 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.25 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.514 ' N ' ' HG3' ' A' ' 40' ' ' MET . . . -86.16 -24.83 26.02 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.62 -0.675 . . . . 0.0 109.43 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.493 ' H ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -106.27 -32.4 8.2 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.227 -0.921 . . . . 0.0 110.047 179.68 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -90.85 111.81 50.09 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.346 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.533 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 48.8 Cg_endo -82.39 48.34 2.76 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 O-C-N 123.91 1.479 . . . . 0.0 110.623 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 1.7 mt-10 74.36 -3.71 2.49 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.619 -0.676 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.497 ' O ' ' C ' ' A' ' 47' ' ' GLN . 0.1 OUTLIER 57.17 149.51 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.181 -0.95 . . . . 0.0 111.007 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.497 ' C ' ' O ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER 30.3 59.71 0.21 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.897 -0.502 . . . . 0.0 110.844 179.709 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.57 -52.85 1.16 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.037 -1.04 . . . . 0.0 110.551 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 CA-C-O 117.936 -1.48 . . . . 0.0 109.722 -179.893 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 24' ' ' ALA . 2.7 tpp180 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 120.872 0.368 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 40.29 73.03 0.91 Allowed Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.275 -0.89 . . . . 0.0 110.726 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -75.66 55.4 4.28 Favored 'Trans proline' 0 C--N 1.301 -1.956 0 O-C-N 124.083 1.57 . . . . 0.0 109.766 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 50.44 -100.51 0.08 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.226 -0.921 . . . . 0.0 109.241 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -108.84 -55.36 2.41 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.973 -1.079 . . . . 0.0 109.297 178.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.476 ' O ' ' HA ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 32.73 56.99 0.42 Allowed 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.556 0.693 . . . . 0.0 110.866 179.733 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.548 ' HA2' ' HA ' ' A' ' 36' ' ' THR . . . -157.06 173.8 34.65 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.551 ' SG ' ' CB ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -79.68 139.26 37.44 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.479 -1.012 . . . . 0.0 110.491 -179.693 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.725 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 1.1 m0 -90.43 9.63 28.37 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.978 -1.076 . . . . 0.0 108.603 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.48 ' HG2' ' SD ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -144.37 -37.39 0.31 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.529 -0.732 . . . . 0.0 110.611 -178.809 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -78.94 -54.06 6.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.344 -0.848 . . . . 0.0 109.193 179.811 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.41 57.1 0.63 Allowed Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.944 -1.122 . . . . 0.0 110.51 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.451 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -160.1 141.57 12.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.167 -1.196 . . . . 0.0 110.641 179.479 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.548 ' HA ' ' HA2' ' A' ' 29' ' ' GLY . 0.9 OUTLIER -86.53 -179.51 6.64 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.471 -0.768 . . . . 0.0 110.335 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 82.85 0.99 90.57 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.548 ' CD2' ' O ' ' A' ' 38' ' ' HIS . 3.1 p-80 177.25 153.09 0.23 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.469 -1.018 . . . . 0.0 108.748 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.527 ' CG2' ' HB2' ' A' ' 41' ' ' ALA . 6.4 m -130.96 -164.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 O-C-N 121.128 -0.982 . . . . 0.0 110.608 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.48 ' SD ' ' HG2' ' A' ' 32' ' ' LYS . 1.7 mtm -59.22 -26.4 64.83 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 122.227 1.013 . . . . 0.0 108.799 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.527 ' HB2' ' CG2' ' A' ' 39' ' ' VAL . . . -81.65 -26.87 34.42 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.039 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.421 ' H ' HG21 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -108.72 -23.29 11.85 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.139 -0.976 . . . . 0.0 110.986 -179.648 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.551 ' CB ' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -90.79 117.04 67.66 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.136 -0.977 . . . . 0.0 110.896 -179.811 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.551 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 52.9 Cg_endo -84.8 41.17 0.92 Allowed 'Trans proline' 0 C--N 1.307 -1.633 0 O-C-N 123.77 1.405 . . . . 0.0 110.002 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.551 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 3.8 tt0 78.77 -22.45 0.28 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.528 -0.732 . . . . 0.0 110.548 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 14.3 mmm180 61.58 11.31 3.78 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.931 -1.105 . . . . 0.0 110.226 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -115.98 17.26 15.98 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.422 -0.799 . . . . 0.0 109.264 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.36 -5.48 43.25 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.607 -0.683 . . . . 0.0 110.378 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 121.259 0.552 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 177.82 147.71 0.34 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.206 -0.934 . . . . 0.0 110.126 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.545 ' HG2' ' CB ' ' A' ' 28' ' ' GLN . 48.5 Cg_endo -76.59 46.03 1.76 Allowed 'Trans proline' 0 C--N 1.304 -1.814 0 O-C-N 123.884 1.465 . . . . 0.0 110.706 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.32 -79.79 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.151 -0.968 . . . . 0.0 110.746 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.497 ' O ' ' HB3' ' A' ' 28' ' ' GLN . 15.1 mtm-85 -105.84 -32.97 8.12 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.072 -1.017 . . . . 0.0 110.42 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.545 ' CB ' ' HG2' ' A' ' 25' ' ' PRO . 30.7 tt0 70.14 108.19 0.06 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.582 -0.698 . . . . 0.0 111.395 179.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.09 141.74 0.84 Allowed Glycine 0 N--CA 1.493 2.463 0 C-N-CA 120.258 -0.972 . . . . 0.0 110.901 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.637 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 40.3 m -71.05 173.68 7.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.629 -0.924 . . . . 0.0 110.31 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.607 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 13.6 m95 -90.81 -2.24 57.79 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.11 1.64 0.11 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 119.616 -0.834 . . . . 0.0 112.462 -176.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -95.45 -38.13 10.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.501 -1.374 . . . . 0.0 109.423 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.477 ' O ' ' HG2' ' A' ' 35' ' ' LYS . . . 84.92 34.62 14.68 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 178.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 34' ' ' GLY . 12.0 mttt -151.94 144.38 24.11 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.019 -1.283 . . . . 0.0 111.116 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.9 p -85.42 153.04 22.77 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.742 -0.599 . . . . 0.0 110.185 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.481 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 118.42 0.79 16.06 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.481 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 0.9 OUTLIER 176.26 176.4 0.27 Allowed 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.291 -1.123 . . . . 0.0 109.025 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.637 ' HA ' ' HA ' ' A' ' 30' ' ' CYS . 34.0 m -141.67 -171.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 120.988 -1.07 . . . . 0.0 111.489 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.0 ttt -70.46 -10.4 59.04 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 121.691 0.758 . . . . 0.0 109.408 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.02 -30.86 17.47 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.665 -0.647 . . . . 0.0 109.548 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' A' ' 38' ' ' HIS . 0.7 OUTLIER -123.19 -6.24 8.32 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 119.069 -1.053 . . . . 0.0 111.759 -179.592 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 39' ' ' VAL . 34.6 t -79.98 127.54 76.78 Favored Pre-proline 0 N--CA 1.499 1.983 0 O-C-N 120.762 -1.211 . . . . 0.0 110.062 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.4 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 51.8 Cg_endo -78.06 57.06 5.98 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.889 1.468 . . . . 0.0 110.435 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 44' ' ' PRO . 1.4 mm-40 -138.18 21.92 2.79 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.147 -0.971 . . . . 0.0 109.562 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -97.83 -27.75 14.16 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.319 -0.863 . . . . 0.0 110.504 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -176.13 30.5 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.974 -1.079 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -112.2 101.56 9.79 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.012 -1.055 . . . . 0.0 110.022 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 CA-C-O 117.933 -1.482 . . . . 0.0 109.671 -179.909 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.638 ' CA ' ' HA ' ' A' ' 39' ' ' VAL . 17.2 m . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.378 0.609 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.712 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -91.3 24.41 2.94 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.377 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' HE2' ' HB2' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -149.88 -43.51 0.13 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.638 -0.664 . . . . 0.0 110.917 -178.451 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -79.72 -41.52 26.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.909 -1.119 . . . . 0.0 109.359 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.508 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 90.61 42.93 5.0 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' HB3' ' NE2' ' A' ' 38' ' ' HIS . 3.5 ttpt -145.15 147.41 32.47 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 120.933 -1.333 . . . . 0.0 111.096 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.497 ' O ' ' CD2' ' A' ' 38' ' ' HIS . 43.5 p -82.48 -171.15 3.31 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.313 -0.867 . . . . 0.0 110.324 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 75.85 -1.26 59.35 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.53 ' O ' ' CD2' ' A' ' 38' ' ' HIS . 0.4 OUTLIER 172.97 152.89 0.08 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.527 -0.984 . . . . 0.0 108.457 179.663 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.926 HG23 ' H ' ' A' ' 41' ' ' ALA . 14.8 m -123.29 -164.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 C-N-CA 118.963 -1.095 . . . . 0.0 110.196 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.7 ttt -65.97 -16.73 64.14 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.181 -0.949 . . . . 0.0 109.217 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.926 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -90.97 -28.69 17.87 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.737 -0.602 . . . . 0.0 109.92 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.93 -11.78 13.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.91 . . . . 0.0 110.878 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.058 -1.026 . . . . 0.0 110.079 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.957 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 22.3 m . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.242 0.544 . . . . 0.0 109.794 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.598 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 22.3 m95 -91.76 11.51 24.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.361 -0.837 . . . . 0.0 108.747 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.1 -48.09 0.21 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.751 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.957 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 5.6 p -79.39 -41.23 28.2 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.734 -1.229 . . . . 0.0 110.597 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.508 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 85.56 45.51 5.77 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -147.65 157.13 43.41 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.315 -1.109 . . . . 0.0 110.01 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.7 p -86.48 -176.32 5.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.266 -0.896 . . . . 0.0 110.829 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.508 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 79.87 2.89 89.02 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER 173.49 167.01 0.17 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.538 -0.978 . . . . 0.0 109.169 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.639 HG23 ' H ' ' A' ' 41' ' ' ALA . 34.1 m -136.32 -162.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 O-C-N 121.439 -0.788 . . . . 0.0 110.089 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.573 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 26.0 ptm -72.22 -22.34 61.27 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.039 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.639 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -91.32 -15.13 29.57 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.69 -0.631 . . . . 0.0 109.875 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -128.98 0.63 5.29 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.229 -0.92 . . . . 0.0 111.143 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.945 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.78 0 O-C-N 120.981 -1.075 . . . . 0.0 110.478 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 1.349 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 1.4 p . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 121.342 0.591 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.714 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -90.16 29.2 1.27 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -0.851 . . . . 0.0 109.81 -178.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.99 -37.99 0.05 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.001 -1.062 . . . . 0.0 111.746 -178.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 1.349 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 14.3 p -79.49 -38.29 34.8 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.725 -1.235 . . . . 0.0 110.351 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.505 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 92.34 45.07 3.87 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.554 ' HB3' ' NE2' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -145.61 145.86 31.13 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.204 -1.174 . . . . 0.0 110.084 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 p -92.09 -162.37 0.92 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.238 -0.914 . . . . 0.0 110.736 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 62.32 13.06 41.7 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.583 ' CD2' ' SG ' ' A' ' 43' ' ' CYS . 2.0 p-80 172.56 163.91 0.12 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.723 HG23 ' H ' ' A' ' 41' ' ' ALA . 20.4 m -130.48 -169.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 O-C-N 121.104 -0.997 . . . . 0.0 110.615 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.429 ' N ' ' HA ' ' A' ' 30' ' ' CYS . 3.4 tmm? -64.14 -24.36 67.66 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.968 0.89 . . . . 0.0 108.907 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.723 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -84.81 -21.4 29.92 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.548 ' HA ' ' CE ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -103.63 -30.67 10.32 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.484 -0.76 . . . . 0.0 110.199 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.583 ' SG ' ' CD2' ' A' ' 38' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.319 -0.863 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.53 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 1.2 m . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.247 0.546 . . . . 0.0 110.625 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.593 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 25.6 m95 -92.14 14.23 16.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.361 -0.837 . . . . 0.0 109.478 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.572 ' HE3' ' N ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -157.2 -36.97 0.07 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.499 -0.75 . . . . 0.0 110.811 -177.556 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.572 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 1.2 t -77.5 -42.51 35.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.199 -0.938 . . . . 0.0 108.581 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' O ' ' HG2' ' A' ' 35' ' ' LYS . . . 87.32 44.57 5.56 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.089 -1.205 . . . . 0.0 110.089 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 9.5 mmmt -153.31 156.36 38.23 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.125 -1.221 . . . . 0.0 110.183 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.9 p -89.5 -169.18 2.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.276 -0.89 . . . . 0.0 110.522 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.531 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 74.2 1.95 61.39 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.381 -1.488 . . . . 0.0 109.381 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.552 ' O ' ' ND1' ' A' ' 38' ' ' HIS . 0.4 OUTLIER 173.83 132.32 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.943 HG23 ' H ' ' A' ' 41' ' ' ALA . 5.8 m -106.11 -152.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.286 -2.186 0 O-C-N 121.068 -1.02 . . . . 0.0 109.239 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.427 ' C ' ' SD ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -71.48 -25.61 62.35 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 121.343 -0.848 . . . . 0.0 109.44 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.943 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -84.02 -30.1 26.4 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.663 -0.648 . . . . 0.0 109.613 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 43' ' ' CYS . 0.7 OUTLIER -103.32 -18.07 15.02 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.385 -0.822 . . . . 0.0 110.366 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.116 -0.99 . . . . 0.0 110.471 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 120.979 0.419 . . . . 0.0 110.507 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.727 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -89.68 8.49 31.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.046 -1.034 . . . . 0.0 108.449 179.377 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.39 -30.19 0.67 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.688 -0.633 . . . . 0.0 110.651 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.566 ' HB3' ' CB ' ' A' ' 30' ' ' CYS . 7.9 t -79.31 -34.02 42.72 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.0 110.31 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.27 16.45 64.57 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.23 167.73 16.45 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.392 -1.063 . . . . 0.0 110.003 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.6 p -107.6 -158.01 0.64 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.24 -0.913 . . . . 0.0 110.081 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.497 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 69.25 7.42 57.16 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.527 ' C ' ' CD2' ' A' ' 38' ' ' HIS . 2.9 p-80 177.72 -178.04 0.21 Allowed 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.65 HG23 ' H ' ' A' ' 42' ' ' LYS . 35.5 m -140.87 -164.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 O-C-N 121.055 -1.028 . . . . 0.0 111.116 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.6 ttt -81.32 -15.95 53.88 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.596 0.712 . . . . 0.0 109.204 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.501 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -87.02 -28.52 22.57 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.65 ' H ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -123.57 8.7 8.94 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 121.452 0.644 . . . . 0.0 109.618 179.226 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.731 0 O-C-N 121.45 -0.781 . . . . 0.0 110.91 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 120.978 0.418 . . . . 0.0 110.163 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.686 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.6 OUTLIER -88.43 6.85 35.59 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.253 -0.979 . . . . 0.0 108.822 179.296 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.453 ' HG2' ' SD ' ' A' ' 40' ' ' MET . 4.0 ptpt -124.49 -58.97 1.49 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.406 -0.809 . . . . 0.0 111.535 -178.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.515 ' SG ' ' CB ' ' A' ' 30' ' ' CYS . 20.6 p -83.14 -36.76 24.51 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.835 -1.166 . . . . 0.0 111.01 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.466 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 90.97 55.62 1.84 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.595 ' HB3' ' CE1' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -142.39 154.68 44.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.252 -1.146 . . . . 0.0 109.976 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.4 p -92.72 -176.9 4.39 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.142 -0.974 . . . . 0.0 110.557 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 75.78 3.69 74.22 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.595 ' CE1' ' HB3' ' A' ' 35' ' ' LYS . 8.4 p-80 176.68 144.28 0.08 Allowed 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.461 -1.023 . . . . 0.0 109.21 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.615 ' O ' ' N ' ' A' ' 43' ' ' CYS . 16.1 m -116.92 -167.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.128 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.631 ' HB3' ' CD2' ' A' ' 31' ' ' TRP . 9.1 tpt -62.62 -18.91 63.15 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.593 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -87.45 -30.84 20.37 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.246 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' CYS . 9.4 tppt? -119.77 0.09 10.82 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.928 -1.108 . . . . 0.0 110.782 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.615 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.771 0 O-C-N 121.349 -0.844 . . . . 0.0 110.887 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 1.262 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 59.4 m . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.414 0.626 . . . . 0.0 110.773 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.669 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -90.5 16.28 9.24 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.31 -35.4 0.46 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.432 -0.793 . . . . 0.0 111.317 -178.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -82.14 -42.23 19.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.719 -1.238 . . . . 0.0 110.283 -179.714 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.468 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 96.64 42.27 3.42 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.749 ' HB3' ' HE1' ' A' ' 38' ' ' HIS . 7.3 ttpt -150.57 162.78 39.98 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.116 -1.226 . . . . 0.0 110.322 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.8 p -100.16 173.0 6.83 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.197 -0.94 . . . . 0.0 110.469 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.553 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 92.23 16.79 49.12 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.749 ' HE1' ' HB3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER 165.25 164.6 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.83 HG23 ' H ' ' A' ' 41' ' ' ALA . 21.5 m -129.27 -172.24 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 120.845 -1.159 . . . . 0.0 110.83 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.602 ' HB3' ' CD2' ' A' ' 31' ' ' TRP . 3.2 ttt -70.54 -12.38 61.53 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.629 0.728 . . . . 0.0 109.208 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.83 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -87.66 -28.86 21.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.514 -0.741 . . . . 0.0 109.758 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.809 ' HG2' HG22 ' A' ' 39' ' ' VAL . 12.6 ptpt -128.12 1.42 5.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.981 -1.075 . . . . 0.0 111.576 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 1.262 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.89 0 O-C-N 120.642 -1.286 . . . . 0.0 109.968 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 1.166 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.141 0.496 . . . . 0.0 111.261 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.682 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -91.08 -8.12 49.78 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.121 -0.987 . . . . 0.0 108.773 178.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.558 ' HD3' ' HB2' ' A' ' 40' ' ' MET . 0.0 OUTLIER -122.83 -36.02 2.95 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.673 -0.642 . . . . 0.0 110.331 -179.107 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.603 ' HB3' ' CB ' ' A' ' 30' ' ' CYS . 30.3 t -78.93 -32.58 45.65 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.269 -0.894 . . . . 0.0 109.327 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.96 36.66 57.12 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 108.486 -1.846 . . . . 0.0 108.486 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -137.9 163.33 31.73 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.404 -1.057 . . . . 0.0 110.655 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.45 ' O ' ' CD2' ' A' ' 38' ' ' HIS . 13.2 p -102.33 -174.0 2.47 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.447 -0.783 . . . . 0.0 109.933 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 77.74 -0.88 69.55 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 20.6 p80 177.1 161.52 0.44 Allowed 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.959 HG23 ' H ' ' A' ' 41' ' ' ALA . 7.9 m -133.26 -162.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.04 0 O-C-N 121.058 -1.026 . . . . 0.0 110.069 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.623 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 9.0 tpt -66.69 -20.8 66.05 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.695 0.759 . . . . 0.0 109.603 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.959 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -83.36 -32.7 26.09 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.655 -0.653 . . . . 0.0 109.485 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -108.73 -9.14 15.26 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.57 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 1.166 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.89 0 O-C-N 121.149 -0.969 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.993 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 9.3 m . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.356 0.598 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 20.1 m95 -90.3 -6.83 54.67 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.352 -0.843 . . . . 0.0 108.844 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.51 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -153.47 13.26 0.48 Allowed 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.625 -0.672 . . . . 0.0 110.833 -177.385 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.993 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -108.05 -35.1 6.69 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.076 -1.015 . . . . 0.0 109.273 179.61 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' A' ' 35' ' ' LYS . . . 91.29 25.01 25.1 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 120.105 -1.045 . . . . 0.0 110.611 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.454 ' O ' ' SG ' ' A' ' 30' ' ' CYS . 14.0 mtmt -160.87 155.06 22.96 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.924 -1.339 . . . . 0.0 110.526 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.585 ' O ' ' CE1' ' A' ' 38' ' ' HIS . 12.0 p -88.39 -163.53 0.98 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.234 -0.916 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.498 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 82.04 4.8 90.14 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 167.89 149.33 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.998 HG23 ' H ' ' A' ' 41' ' ' ALA . 16.6 m -122.19 -161.27 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 O-C-N 121.036 -1.04 . . . . 0.0 110.188 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.589 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -65.23 -17.08 64.2 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.19 -0.944 . . . . 0.0 109.072 179.721 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.998 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -90.32 -27.96 19.07 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.737 -0.602 . . . . 0.0 109.485 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.97 -21.47 12.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.884 . . . . 0.0 111.306 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.5 2.047 0 O-C-N 121.182 -0.949 . . . . 0.0 110.747 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.738 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.452 0.644 . . . . 0.0 110.478 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.574 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 24.3 m95 -92.27 -12.58 32.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.451 -0.78 . . . . 0.0 109.927 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.531 ' HE2' ' HB2' ' A' ' 31' ' ' TRP . 6.0 mmtt -108.59 -62.79 1.41 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.657 -0.652 . . . . 0.0 111.109 -177.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.738 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 14.5 p -77.54 -18.4 57.01 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.467 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.63 50.14 32.83 Favored Glycine 0 N--CA 1.483 1.831 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.704 ' HB2' ' HE1' ' A' ' 38' ' ' HIS . 0.3 OUTLIER -136.41 143.57 44.02 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.407 -1.055 . . . . 0.0 110.292 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.4 p -84.23 -171.22 3.49 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.384 -0.823 . . . . 0.0 110.624 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 70.98 5.35 57.98 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.704 ' HE1' ' HB2' ' A' ' 35' ' ' LYS . 4.7 p80 175.59 156.13 0.19 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.715 HG23 ' H ' ' A' ' 41' ' ' ALA . 32.4 m -126.64 -166.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 O-C-N 120.883 -1.136 . . . . 0.0 110.587 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.531 ' HB2' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -69.32 -20.01 63.88 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.25 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.715 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -86.16 -24.83 26.02 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.62 -0.675 . . . . 0.0 109.43 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.27 -32.4 8.2 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.227 -0.921 . . . . 0.0 110.047 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.499 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.562 ' SG ' ' CB ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.036 0.446 . . . . 0.0 110.491 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.725 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 1.1 m0 -90.43 9.63 28.37 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.978 -1.076 . . . . 0.0 108.603 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HG2' ' SD ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -144.37 -37.39 0.31 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.529 -0.732 . . . . 0.0 110.611 -178.809 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.476 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -78.94 -54.06 6.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.344 -0.848 . . . . 0.0 109.193 179.811 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.41 57.1 0.63 Allowed Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.944 -1.122 . . . . 0.0 110.51 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.518 ' HB3' ' CE1' ' A' ' 38' ' ' HIS . 0.0 OUTLIER -160.1 141.57 12.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.167 -1.196 . . . . 0.0 110.641 179.479 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.53 -179.51 6.64 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.471 -0.768 . . . . 0.0 110.335 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.467 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 82.85 0.99 90.57 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 35' ' ' LYS . 6.0 p80 177.25 153.09 0.23 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.469 -1.018 . . . . 0.0 108.748 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.96 HG23 ' H ' ' A' ' 41' ' ' ALA . 6.4 m -130.96 -164.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 O-C-N 121.128 -0.982 . . . . 0.0 110.608 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.492 ' SD ' ' HG2' ' A' ' 32' ' ' LYS . 1.7 mtm -59.22 -26.4 64.83 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 122.227 1.013 . . . . 0.0 108.799 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.96 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -81.65 -26.87 34.42 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.039 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.72 -23.29 11.85 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.139 -0.976 . . . . 0.0 110.986 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.562 ' CB ' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.136 -0.977 . . . . 0.0 110.896 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 40.3 m . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.457 0.646 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.607 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 13.6 m95 -90.81 -2.24 57.79 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.11 1.64 0.11 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 119.616 -0.834 . . . . 0.0 112.462 -176.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -95.45 -38.13 10.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.501 -1.374 . . . . 0.0 109.423 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.5 ' O ' ' HG2' ' A' ' 35' ' ' LYS . . . 84.92 34.62 14.68 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 178.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 34' ' ' GLY . 12.0 mttt -151.94 144.38 24.11 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.019 -1.283 . . . . 0.0 111.116 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.9 p -85.42 153.04 22.77 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.742 -0.599 . . . . 0.0 110.185 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.473 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 118.42 0.79 16.06 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.557 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 0.9 OUTLIER 176.26 176.4 0.27 Allowed 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.291 -1.123 . . . . 0.0 109.025 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.767 HG23 ' H ' ' A' ' 41' ' ' ALA . 34.0 m -141.67 -171.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 120.988 -1.07 . . . . 0.0 111.489 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.0 ttt -70.46 -10.4 59.04 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 121.691 0.758 . . . . 0.0 109.408 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.767 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -90.02 -30.86 17.47 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.665 -0.647 . . . . 0.0 109.548 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.565 ' HG2' HG22 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -123.19 -6.24 8.32 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 119.069 -1.053 . . . . 0.0 111.759 -179.592 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 39' ' ' VAL . 34.6 t . . . . . 0 N--CA 1.499 1.983 0 O-C-N 120.762 -1.211 . . . . 0.0 110.062 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.341 0.591 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.09 159.71 26.58 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.321 -0.862 . . . . 0.0 110.54 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -74.38 71.02 4.66 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 O-C-N 124.118 1.589 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -73.1 -29.89 63.25 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.203 -0.936 . . . . 0.0 110.248 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.27 12.42 5.35 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.379 -0.825 . . . . 0.0 110.321 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 49.25 78.66 0.09 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.173 -0.954 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.534 ' CA ' ' O ' ' A' ' 35' ' ' LYS . . . 94.55 -173.91 32.92 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.638 ' CA ' ' HA ' ' A' ' 39' ' ' VAL . 17.2 m -65.9 159.04 26.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.369 -1.077 . . . . 0.0 110.122 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.712 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -91.3 24.41 2.94 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.377 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.553 ' NZ ' ' HG3' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -149.88 -43.51 0.13 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.638 -0.664 . . . . 0.0 110.917 -178.451 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -79.72 -41.52 26.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.909 -1.119 . . . . 0.0 109.359 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.508 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 90.61 42.93 5.0 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 3.5 ttpt -145.15 147.41 32.47 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 120.933 -1.333 . . . . 0.0 111.096 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.497 ' O ' ' CD2' ' A' ' 38' ' ' HIS . 43.5 p -82.48 -171.15 3.31 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.313 -0.867 . . . . 0.0 110.324 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 75.85 -1.26 59.35 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 38' ' ' HIS . 0.4 OUTLIER 172.97 152.89 0.08 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.527 -0.984 . . . . 0.0 108.457 179.663 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.926 HG23 ' H ' ' A' ' 41' ' ' ALA . 14.8 m -123.29 -164.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 C-N-CA 118.963 -1.095 . . . . 0.0 110.196 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.7 ttt -65.97 -16.73 64.14 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.181 -0.949 . . . . 0.0 109.217 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.926 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -90.97 -28.69 17.87 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.737 -0.602 . . . . 0.0 109.92 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.93 -11.78 13.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.91 . . . . 0.0 110.878 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -48.68 167.29 0.21 Allowed Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.058 -1.026 . . . . 0.0 110.079 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -77.49 -13.25 16.66 Favored 'Trans proline' 0 C--N 1.303 -1.856 0 O-C-N 124.138 1.599 . . . . 0.0 111.116 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.553 ' HG3' ' NZ ' ' A' ' 32' ' ' LYS . 3.4 pt-20 -132.2 77.31 1.75 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.825 -1.172 . . . . 0.0 110.708 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 48' ' ' ALA . 7.2 ptt85 -115.79 44.21 1.95 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.361 -0.837 . . . . 0.0 109.851 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.588 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 2.4 tt0 55.57 -89.05 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.182 -0.949 . . . . 0.0 110.224 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . 62.15 62.93 1.13 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.262 -0.898 . . . . 0.0 110.234 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 121.202 0.525 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.429 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -78.34 162.67 65.53 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.312 -0.868 . . . . 0.0 110.325 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.429 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 46.8 Cg_endo -72.68 76.06 2.47 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 O-C-N 123.985 1.518 . . . . 0.0 110.522 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.522 ' HD2' ' N ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -69.39 -6.04 27.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.168 -0.958 . . . . 0.0 110.292 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.45 ' O ' ' HB2' ' A' ' 28' ' ' GLN . 20.0 mtm-85 -64.29 -46.55 83.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.205 -0.934 . . . . 0.0 110.276 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 6.3 mm100 55.52 85.06 0.07 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.293 -0.879 . . . . 0.0 110.673 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.02 110.62 2.2 Favored Glycine 0 N--CA 1.49 2.282 0 C-N-CA 119.673 -1.251 . . . . 0.0 110.122 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.517 ' SG ' ' HA ' ' A' ' 39' ' ' VAL . 22.3 m -54.73 173.4 0.08 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.382 -1.07 . . . . 0.0 109.794 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.598 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 22.3 m95 -91.76 11.51 24.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.361 -0.837 . . . . 0.0 108.747 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.1 -48.09 0.21 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.751 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 5.6 p -79.39 -41.23 28.2 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.734 -1.229 . . . . 0.0 110.597 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.508 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 85.56 45.51 5.77 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -147.65 157.13 43.41 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.315 -1.109 . . . . 0.0 110.01 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.7 p -86.48 -176.32 5.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.266 -0.896 . . . . 0.0 110.829 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.508 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 79.87 2.89 89.02 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER 173.49 167.01 0.17 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.538 -0.978 . . . . 0.0 109.169 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.639 HG23 ' H ' ' A' ' 41' ' ' ALA . 34.1 m -136.32 -162.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 O-C-N 121.439 -0.788 . . . . 0.0 110.089 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.573 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 26.0 ptm -72.22 -22.34 61.27 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.039 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.639 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -91.32 -15.13 29.57 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.69 -0.631 . . . . 0.0 109.875 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -128.98 0.63 5.29 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.229 -0.92 . . . . 0.0 111.143 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -62.39 132.54 94.21 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 120.981 -1.075 . . . . 0.0 110.478 -179.586 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -77.28 3.09 7.02 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 O-C-N 123.967 1.509 . . . . 0.0 110.206 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -99.7 53.76 0.93 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 0.0 110.316 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.97 -46.32 57.8 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.159 -0.963 . . . . 0.0 109.866 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -171.9 36.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.497 -0.752 . . . . 0.0 109.741 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -112.04 5.68 18.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.381 -0.825 . . . . 0.0 110.313 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.381 0 CA-C-O 118.01 -1.439 . . . . 0.0 109.761 179.889 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.531 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 2.9 ttm180 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.248 0.547 . . . . 0.0 110.202 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . 59.05 155.07 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.241 -0.912 . . . . 0.0 110.111 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.529 ' O ' HG12 ' A' ' 39' ' ' VAL . 51.0 Cg_endo -77.5 7.44 3.81 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 O-C-N 124.109 1.584 . . . . 0.0 110.964 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 25' ' ' PRO . 3.0 mtt180 58.14 124.84 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.323 -0.861 . . . . 0.0 110.607 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 43.9 25.12 0.09 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.266 -0.896 . . . . 0.0 110.438 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HA ' ' HG2' ' A' ' 25' ' ' PRO . 40.8 mt-30 53.67 68.17 0.89 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.174 -0.954 . . . . 0.0 110.704 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 35' ' ' LYS . . . 107.12 161.92 21.8 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.592 ' CA ' ' HA ' ' A' ' 39' ' ' VAL . 1.4 p -39.99 154.61 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.442 -1.034 . . . . 0.0 110.387 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.714 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -90.16 29.2 1.27 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -0.851 . . . . 0.0 109.81 -178.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.99 -37.99 0.05 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.001 -1.062 . . . . 0.0 111.746 -178.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 14.3 p -79.49 -38.29 34.8 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.725 -1.235 . . . . 0.0 110.351 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.505 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 92.34 45.07 3.87 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.554 ' HB3' ' NE2' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -145.61 145.86 31.13 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.204 -1.174 . . . . 0.0 110.084 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.457 ' HA ' ' HA2' ' A' ' 29' ' ' GLY . 40.4 p -92.09 -162.37 0.92 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.238 -0.914 . . . . 0.0 110.736 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 62.32 13.06 41.7 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.554 ' NE2' ' HB3' ' A' ' 35' ' ' LYS . 2.0 p-80 172.56 163.91 0.12 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.723 HG23 ' H ' ' A' ' 41' ' ' ALA . 20.4 m -130.48 -169.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 O-C-N 121.104 -0.997 . . . . 0.0 110.615 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.429 ' N ' ' HA ' ' A' ' 30' ' ' CYS . 3.4 tmm? -64.14 -24.36 67.66 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.968 0.89 . . . . 0.0 108.907 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.723 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -84.81 -21.4 29.92 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.548 ' HA ' ' CE ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -103.63 -30.67 10.32 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.484 -0.76 . . . . 0.0 110.199 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -86.06 109.08 20.02 Favored Pre-proline 0 N--CA 1.496 1.827 0 O-C-N 121.319 -0.863 . . . . 0.0 110.376 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.527 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 44.2 Cg_endo -70.91 59.04 2.17 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 124.035 1.545 . . . . 0.0 110.285 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 44' ' ' PRO . 5.8 pt-20 38.3 34.79 0.08 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.539 -0.726 . . . . 0.0 110.699 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.519 ' CD ' ' HD2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -69.47 132.17 45.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 0.0 110.11 179.791 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' ARG . 5.1 mt-30 42.85 46.58 4.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.198 -0.939 . . . . 0.0 110.362 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -128.49 36.84 4.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.175 -0.953 . . . . 0.0 110.032 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.488 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.272 0.558 . . . . 0.0 110.261 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . 57.61 108.05 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.296 -0.877 . . . . 0.0 110.207 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.42 53.42 2.17 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 O-C-N 123.977 1.514 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -78.73 -120.09 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.081 -1.012 . . . . 0.0 109.799 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER 56.17 44.23 25.41 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.822 -1.174 . . . . 0.0 110.575 179.735 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' ARG . 2.5 tt0 39.73 67.94 0.42 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.309 -0.869 . . . . 0.0 110.789 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 40.66 -160.4 0.02 OUTLIER Glycine 0 N--CA 1.491 2.331 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.53 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 1.2 m -65.7 149.27 50.4 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.46 -1.024 . . . . 0.0 110.625 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.593 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 25.6 m95 -92.14 14.23 16.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.361 -0.837 . . . . 0.0 109.478 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.572 ' HE3' ' N ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -157.2 -36.97 0.07 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.499 -0.75 . . . . 0.0 110.811 -177.556 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.572 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 1.2 t -77.5 -42.51 35.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.199 -0.938 . . . . 0.0 108.581 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' O ' ' HG2' ' A' ' 35' ' ' LYS . . . 87.32 44.57 5.56 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.089 -1.205 . . . . 0.0 110.089 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 9.5 mmmt -153.31 156.36 38.23 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.125 -1.221 . . . . 0.0 110.183 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.9 p -89.5 -169.18 2.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.276 -0.89 . . . . 0.0 110.522 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.531 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 74.2 1.95 61.39 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.381 -1.488 . . . . 0.0 109.381 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.552 ' O ' ' ND1' ' A' ' 38' ' ' HIS . 0.4 OUTLIER 173.83 132.32 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.943 HG23 ' H ' ' A' ' 41' ' ' ALA . 5.8 m -106.11 -152.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.286 -2.186 0 O-C-N 121.068 -1.02 . . . . 0.0 109.239 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.427 ' C ' ' SD ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -71.48 -25.61 62.35 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 121.343 -0.848 . . . . 0.0 109.44 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.943 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -84.02 -30.1 26.4 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.663 -0.648 . . . . 0.0 109.613 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 43' ' ' CYS . 0.7 OUTLIER -103.32 -18.07 15.02 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.385 -0.822 . . . . 0.0 110.366 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -48.5 174.47 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.116 -0.99 . . . . 0.0 110.471 -179.649 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' A' ' 43' ' ' CYS . 44.0 Cg_endo -70.86 -12.9 31.46 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 O-C-N 124.164 1.613 . . . . 0.0 110.332 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -67.63 -21.81 65.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.269 -0.894 . . . . 0.0 109.695 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.527 ' HD3' ' N ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -52.71 141.94 19.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.362 -0.836 . . . . 0.0 110.838 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 46' ' ' ARG . 1.5 tt0 39.34 41.7 0.71 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.451 -0.78 . . . . 0.0 110.507 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.51 173.91 11.16 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.184 -0.948 . . . . 0.0 110.339 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 CA-C-O 117.902 -1.499 . . . . 0.0 109.503 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.338 0.589 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.13 137.09 25.17 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.313 -0.867 . . . . 0.0 109.951 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ARG . 47.7 Cg_endo -72.74 -16.65 26.45 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 O-C-N 123.914 1.481 . . . . 0.0 110.593 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.475 ' HB3' ' O ' ' A' ' 25' ' ' PRO . 3.1 ttm-85 60.76 -74.75 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.379 -0.826 . . . . 0.0 110.277 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 25' ' ' PRO . 1.8 mpt_? -47.5 163.25 0.05 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.141 -0.975 . . . . 0.0 110.371 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.453 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 3.6 pt20 -92.69 62.33 3.78 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.18 -0.95 . . . . 0.0 110.537 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 36' ' ' THR . . . 63.44 -138.53 43.14 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -83.57 139.19 33.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.603 -0.94 . . . . 0.0 110.507 -179.524 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.727 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -89.68 8.49 31.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.046 -1.034 . . . . 0.0 108.449 179.377 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.39 -30.19 0.67 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.688 -0.633 . . . . 0.0 110.651 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 7.9 t -79.31 -34.02 42.72 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.0 110.31 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.27 16.45 64.57 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.23 167.73 16.45 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.392 -1.063 . . . . 0.0 110.003 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.453 ' HA ' ' HA3' ' A' ' 29' ' ' GLY . 20.6 p -107.6 -158.01 0.64 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.24 -0.913 . . . . 0.0 110.081 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.497 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 69.25 7.42 57.16 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.527 ' C ' ' CD2' ' A' ' 38' ' ' HIS . 2.9 p-80 177.72 -178.04 0.21 Allowed 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.65 HG23 ' H ' ' A' ' 42' ' ' LYS . 35.5 m -140.87 -164.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 O-C-N 121.055 -1.028 . . . . 0.0 111.116 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.6 ttt -81.32 -15.95 53.88 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.596 0.712 . . . . 0.0 109.204 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.501 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -87.02 -28.52 22.57 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.65 ' H ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -123.57 8.7 8.94 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 121.452 0.644 . . . . 0.0 109.618 179.226 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -45.39 117.35 3.45 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.45 -0.781 . . . . 0.0 110.91 -179.73 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -82.6 8.68 4.42 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 O-C-N 123.935 1.492 . . . . 0.0 110.089 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.5 68.65 0.69 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.242 -0.911 . . . . 0.0 110.421 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.78 -31.08 7.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.266 -0.896 . . . . 0.0 110.118 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -176.63 57.49 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -0.9 . . . . 0.0 109.943 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.95 -45.03 1.75 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.222 -0.923 . . . . 0.0 109.878 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 179.842 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.659 ' HE ' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.309 0.576 . . . . 0.0 109.993 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.659 ' HB2' ' HE ' ' A' ' 23' ' ' ARG . . . -140.76 166.89 19.78 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.319 -0.863 . . . . 0.0 110.163 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.537 ' O ' HG11 ' A' ' 39' ' ' VAL . 46.7 Cg_endo -74.87 -62.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 O-C-N 123.946 1.498 . . . . 0.0 110.281 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER 65.93 154.02 0.08 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.92 . . . . 0.0 110.431 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' ARG . 1.0 OUTLIER 41.37 -97.15 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.363 -0.836 . . . . 0.0 110.425 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -173.75 68.57 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.958 -1.089 . . . . 0.0 110.624 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.04 169.55 45.96 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -54.81 150.22 10.18 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.484 -1.01 . . . . 0.0 110.163 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.686 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.6 OUTLIER -88.43 6.85 35.59 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.253 -0.979 . . . . 0.0 108.822 179.296 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.453 ' HG2' ' SD ' ' A' ' 40' ' ' MET . 4.0 ptpt -124.49 -58.97 1.49 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.406 -0.809 . . . . 0.0 111.535 -178.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 20.6 p -83.14 -36.76 24.51 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.835 -1.166 . . . . 0.0 111.01 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.466 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 90.97 55.62 1.84 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.595 ' HB3' ' CE1' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -142.39 154.68 44.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.252 -1.146 . . . . 0.0 109.976 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.4 p -92.72 -176.9 4.39 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.142 -0.974 . . . . 0.0 110.557 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 75.78 3.69 74.22 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.595 ' CE1' ' HB3' ' A' ' 35' ' ' LYS . 8.4 p-80 176.68 144.28 0.08 Allowed 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.461 -1.023 . . . . 0.0 109.21 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.615 ' O ' ' N ' ' A' ' 43' ' ' CYS . 16.1 m -116.92 -167.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.128 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.631 ' HB3' ' CD2' ' A' ' 31' ' ' TRP . 9.1 tpt -62.62 -18.91 63.15 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.593 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -87.45 -30.84 20.37 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.246 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' CYS . 9.4 tppt? -119.77 0.09 10.82 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.928 -1.108 . . . . 0.0 110.782 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.615 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -39.83 144.5 0.51 Allowed Pre-proline 0 N--CA 1.494 1.771 0 O-C-N 121.349 -0.844 . . . . 0.0 110.887 -179.546 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.58 ' HD3' ' CG ' ' A' ' 38' ' ' HIS . 47.6 Cg_endo -76.6 -32.6 3.57 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 124.151 1.606 . . . . 0.0 110.254 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 46' ' ' ARG . 30.2 tt0 -88.89 24.85 1.94 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.405 -0.81 . . . . 0.0 110.03 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -58.06 -117.55 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.378 -0.826 . . . . 0.0 110.254 -179.812 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.449 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -67.53 62.36 0.07 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.779 -1.201 . . . . 0.0 110.09 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . -129.62 18.1 5.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.231 -0.918 . . . . 0.0 110.135 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.382 0 CA-C-O 117.974 -1.459 . . . . 0.0 109.52 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 24' ' ' ALA . 7.2 mtp180 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.107 0.479 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 23' ' ' ARG . . . 49.52 98.37 0.04 OUTLIER Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.101 -1.0 . . . . 0.0 110.236 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.09 -43.84 0.68 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 O-C-N 124.023 1.538 . . . . 0.0 110.056 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.526 ' CG ' ' HG2' ' A' ' 27' ' ' ARG . 1.9 ttt85 -162.95 131.62 3.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.413 -0.804 . . . . 0.0 109.88 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.526 ' HG2' ' CG ' ' A' ' 26' ' ' ARG . 18.8 mmm180 51.84 -140.49 0.89 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.167 -0.958 . . . . 0.0 109.809 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -99.5 62.89 1.23 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.109 -0.994 . . . . 0.0 109.819 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.19 -137.3 6.42 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.616 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 59.4 m -68.59 136.19 52.65 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.438 -1.036 . . . . 0.0 110.773 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.669 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -90.5 16.28 9.24 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.31 -35.4 0.46 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.432 -0.793 . . . . 0.0 111.317 -178.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.5 ' SG ' ' HB2' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -82.14 -42.23 19.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.719 -1.238 . . . . 0.0 110.283 -179.714 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.468 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 96.64 42.27 3.42 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -150.57 162.78 39.98 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.116 -1.226 . . . . 0.0 110.322 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.8 p -100.16 173.0 6.83 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.197 -0.94 . . . . 0.0 110.469 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.553 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 92.23 16.79 49.12 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.553 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER 165.25 164.6 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.83 HG23 ' H ' ' A' ' 41' ' ' ALA . 21.5 m -129.27 -172.24 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 120.845 -1.159 . . . . 0.0 110.83 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.602 ' HB3' ' CD2' ' A' ' 31' ' ' TRP . 3.2 ttt -70.54 -12.38 61.53 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.629 0.728 . . . . 0.0 109.208 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.83 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -87.66 -28.86 21.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.514 -0.741 . . . . 0.0 109.758 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.809 ' HG2' HG22 ' A' ' 39' ' ' VAL . 12.6 ptpt -128.12 1.42 5.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.981 -1.075 . . . . 0.0 111.576 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -53.54 126.44 47.71 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 120.642 -1.286 . . . . 0.0 109.968 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -83.08 21.68 1.0 Allowed 'Trans proline' 0 C--N 1.306 -1.698 0 O-C-N 123.911 1.48 . . . . 0.0 110.795 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -63.36 -17.86 63.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.03 -1.044 . . . . 0.0 110.147 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.14 112.23 3.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.37 70.11 0.52 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -0.846 . . . . 0.0 110.447 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -164.26 136.5 4.79 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.289 -0.882 . . . . 0.0 110.164 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 CA-C-O 118.008 -1.44 . . . . 0.0 109.575 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.714 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.237 0.541 . . . . 0.0 110.292 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.899 ' HB3' ' HD3' ' A' ' 25' ' ' PRO . . . 169.93 -54.57 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.143 -0.973 . . . . 0.0 110.581 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.899 ' HD3' ' HB3' ' A' ' 24' ' ' ALA . 45.9 Cg_endo -73.58 -0.74 9.73 Favored 'Trans proline' 0 C--N 1.307 -1.628 0 O-C-N 123.873 1.46 . . . . 0.0 110.906 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 25' ' ' PRO . 18.4 ttt180 64.14 135.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.168 -0.958 . . . . 0.0 110.231 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 47.4 -152.79 0.08 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.298 -0.876 . . . . 0.0 110.828 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 28' ' ' GLN . 24.7 tt0 -91.29 73.2 6.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.246 -0.908 . . . . 0.0 110.706 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.833 ' HA2' HG12 ' A' ' 39' ' ' VAL . . . 31.18 -111.1 0.04 OUTLIER Glycine 0 N--CA 1.497 2.752 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.6 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -82.62 137.15 34.6 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.436 -1.037 . . . . 0.0 111.261 -179.352 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.682 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -91.08 -8.12 49.78 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.121 -0.987 . . . . 0.0 108.773 178.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.558 ' HD3' ' HB2' ' A' ' 40' ' ' MET . 0.0 OUTLIER -122.83 -36.02 2.95 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.673 -0.642 . . . . 0.0 110.331 -179.107 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.6 ' HB3' ' CB ' ' A' ' 30' ' ' CYS . 30.3 t -78.93 -32.58 45.65 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.269 -0.894 . . . . 0.0 109.327 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.96 36.66 57.12 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 108.486 -1.846 . . . . 0.0 108.486 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -137.9 163.33 31.73 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.404 -1.057 . . . . 0.0 110.655 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.2 p -102.33 -174.0 2.47 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.447 -0.783 . . . . 0.0 109.933 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 77.74 -0.88 69.55 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 55.0 p-80 177.1 161.52 0.44 Allowed 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.959 HG23 ' H ' ' A' ' 41' ' ' ALA . 7.9 m -133.26 -162.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.04 0 O-C-N 121.058 -1.026 . . . . 0.0 110.069 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.623 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 9.0 tpt -66.69 -20.8 66.05 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.695 0.759 . . . . 0.0 109.603 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.959 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -83.36 -32.7 26.09 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.655 -0.653 . . . . 0.0 109.485 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -108.73 -9.14 15.26 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.57 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.514 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -48.46 114.04 3.28 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 121.149 -0.969 . . . . 0.0 110.895 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -81.34 9.43 3.87 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 O-C-N 123.893 1.47 . . . . 0.0 109.747 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.98 -8.38 55.42 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.247 -0.908 . . . . 0.0 110.838 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.91 -158.12 0.65 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.135 -0.978 . . . . 0.0 110.198 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' GLY . 10.4 pt20 -48.6 -28.4 3.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.291 -0.881 . . . . 0.0 110.188 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 47' ' ' GLN . . . -69.61 60.24 0.15 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.263 -0.898 . . . . 0.0 110.212 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.489 2.211 0 CA-C-O 118.016 -1.436 . . . . 0.0 109.699 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' C ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.213 0.53 . . . . 0.0 110.306 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.578 ' N ' ' CD ' ' A' ' 25' ' ' PRO . . . -124.75 48.05 2.33 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.215 -0.928 . . . . 0.0 110.594 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 24' ' ' ALA . 46.0 Cg_endo -72.89 78.36 2.15 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 O-C-N 123.895 1.471 . . . . 0.0 110.022 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER 51.28 -156.93 0.12 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.173 -0.954 . . . . 0.0 109.845 -179.713 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' ARG . 0.6 OUTLIER -43.71 151.53 0.19 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.939 . . . . 0.0 109.563 179.672 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -43.48 144.78 0.69 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.164 -0.96 . . . . 0.0 109.811 -179.82 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.697 ' HA2' HG12 ' A' ' 39' ' ' VAL . . . -56.02 -164.16 0.03 OUTLIER Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.495 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 9.3 m -41.6 123.68 2.28 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.298 -1.119 . . . . 0.0 110.081 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 20.1 m95 -90.3 -6.83 54.67 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.352 -0.843 . . . . 0.0 108.844 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.51 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -153.47 13.26 0.48 Allowed 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.625 -0.672 . . . . 0.0 110.833 -177.385 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.482 ' CB ' ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -108.05 -35.1 6.69 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.076 -1.015 . . . . 0.0 109.273 179.61 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' A' ' 35' ' ' LYS . . . 91.29 25.01 25.1 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 120.105 -1.045 . . . . 0.0 110.611 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' O ' ' SG ' ' A' ' 30' ' ' CYS . 14.0 mtmt -160.87 155.06 22.96 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.924 -1.339 . . . . 0.0 110.526 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.585 ' O ' ' CE1' ' A' ' 38' ' ' HIS . 12.0 p -88.39 -163.53 0.98 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.234 -0.916 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.498 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 82.04 4.8 90.14 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 167.89 149.33 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.998 HG23 ' H ' ' A' ' 41' ' ' ALA . 16.6 m -122.19 -161.27 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 O-C-N 121.036 -1.04 . . . . 0.0 110.188 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.589 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -65.23 -17.08 64.2 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.19 -0.944 . . . . 0.0 109.072 179.721 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.998 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -90.32 -27.96 19.07 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.737 -0.602 . . . . 0.0 109.485 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.515 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -108.97 -21.47 12.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.884 . . . . 0.0 111.306 -179.701 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -90.85 108.31 26.87 Favored Pre-proline 0 N--CA 1.5 2.047 0 O-C-N 121.182 -0.949 . . . . 0.0 110.747 -179.67 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 42' ' ' LYS . 48.5 Cg_endo -96.62 62.72 0.13 Allowed 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 121.778 1.652 . . . . 0.0 110.856 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 46' ' ' ARG . 1.6 tt0 -130.76 -42.14 1.15 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.775 -1.203 . . . . 0.0 110.819 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.528 ' C ' ' O ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER 20.03 49.75 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 45' ' ' GLU . 1.1 mp0 41.92 29.92 0.15 Allowed 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.161 0.981 . . . . 0.0 108.512 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . -84.87 -67.36 0.8 Allowed 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.671 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 CA-C-O 118.002 -1.444 . . . . 0.0 109.552 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.488 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.417 0.627 . . . . 0.0 110.366 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.725 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . 57.22 171.9 0.05 OUTLIER Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.193 -0.942 . . . . 0.0 110.432 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.725 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 46.8 Cg_endo -74.73 83.61 1.74 Allowed 'Trans proline' 0 C--N 1.303 -1.84 0 O-C-N 124.327 1.698 . . . . 0.0 110.075 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.436 ' H ' ' HD2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -76.41 6.95 4.89 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.284 -0.885 . . . . 0.0 110.884 -179.706 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.461 ' O ' ' CZ2' ' A' ' 31' ' ' TRP . 18.7 mtt-85 -75.12 3.77 8.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.121 -0.987 . . . . 0.0 110.104 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER 62.69 61.82 1.15 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.385 -0.822 . . . . 0.0 109.602 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 41.99 -144.16 0.96 Allowed Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.544 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -85.61 147.05 26.58 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.464 -1.021 . . . . 0.0 110.478 -179.772 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.574 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 24.3 m95 -92.27 -12.58 32.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.451 -0.78 . . . . 0.0 109.927 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.531 ' HE2' ' HB2' ' A' ' 31' ' ' TRP . 6.0 mmtt -108.59 -62.79 1.41 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.657 -0.652 . . . . 0.0 111.109 -177.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.544 ' SG ' ' CB ' ' A' ' 30' ' ' CYS . 14.5 p -77.54 -18.4 57.01 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.467 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.63 50.14 32.83 Favored Glycine 0 N--CA 1.483 1.831 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.704 ' HB2' ' HE1' ' A' ' 38' ' ' HIS . 0.3 OUTLIER -136.41 143.57 44.02 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.407 -1.055 . . . . 0.0 110.292 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.4 p -84.23 -171.22 3.49 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.384 -0.823 . . . . 0.0 110.624 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 70.98 5.35 57.98 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.704 ' HE1' ' HB2' ' A' ' 35' ' ' LYS . 4.7 p80 175.59 156.13 0.19 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.715 HG23 ' H ' ' A' ' 41' ' ' ALA . 32.4 m -126.64 -166.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 O-C-N 120.883 -1.136 . . . . 0.0 110.587 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.531 ' HB2' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -69.32 -20.01 63.88 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.25 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.715 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -86.16 -24.83 26.02 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.62 -0.675 . . . . 0.0 109.43 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -106.27 -32.4 8.2 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.227 -0.921 . . . . 0.0 110.047 179.68 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.5 ' SG ' ' HD2' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -90.85 111.81 50.09 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.346 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.533 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 48.8 Cg_endo -82.39 48.34 2.76 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 O-C-N 123.91 1.479 . . . . 0.0 110.623 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 1.7 mt-10 74.36 -3.71 2.49 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.619 -0.676 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.5 ' HD2' ' SG ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER 57.17 149.51 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.181 -0.95 . . . . 0.0 111.007 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.497 ' C ' ' O ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER 30.3 59.71 0.21 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.897 -0.502 . . . . 0.0 110.844 179.709 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.57 -52.85 1.16 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.037 -1.04 . . . . 0.0 110.551 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 CA-C-O 117.936 -1.48 . . . . 0.0 109.722 -179.893 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 24' ' ' ALA . 2.7 tpp180 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 120.872 0.368 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 40.29 73.03 0.91 Allowed Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.275 -0.89 . . . . 0.0 110.726 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -75.66 55.4 4.28 Favored 'Trans proline' 0 C--N 1.301 -1.956 0 O-C-N 124.083 1.57 . . . . 0.0 109.766 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 50.44 -100.51 0.08 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.226 -0.921 . . . . 0.0 109.241 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -108.84 -55.36 2.41 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.973 -1.079 . . . . 0.0 109.297 178.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.506 ' O ' ' HA ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 32.73 56.99 0.42 Allowed 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.556 0.693 . . . . 0.0 110.866 179.733 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.642 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -157.06 173.8 34.65 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.551 ' SG ' ' CB ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -79.68 139.26 37.44 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.479 -1.012 . . . . 0.0 110.491 -179.693 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.725 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 1.1 m0 -90.43 9.63 28.37 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.978 -1.076 . . . . 0.0 108.603 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HG2' ' SD ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -144.37 -37.39 0.31 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.529 -0.732 . . . . 0.0 110.611 -178.809 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -78.94 -54.06 6.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.344 -0.848 . . . . 0.0 109.193 179.811 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.41 57.1 0.63 Allowed Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.944 -1.122 . . . . 0.0 110.51 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -160.1 141.57 12.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.167 -1.196 . . . . 0.0 110.641 179.479 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.605 ' HA ' ' HA2' ' A' ' 29' ' ' GLY . 0.9 OUTLIER -86.53 -179.51 6.64 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.471 -0.768 . . . . 0.0 110.335 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.467 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 82.85 0.99 90.57 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.548 ' CD2' ' O ' ' A' ' 38' ' ' HIS . 3.1 p-80 177.25 153.09 0.23 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.469 -1.018 . . . . 0.0 108.748 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.96 HG23 ' H ' ' A' ' 41' ' ' ALA . 6.4 m -130.96 -164.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 O-C-N 121.128 -0.982 . . . . 0.0 110.608 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.492 ' SD ' ' HG2' ' A' ' 32' ' ' LYS . 1.7 mtm -59.22 -26.4 64.83 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 122.227 1.013 . . . . 0.0 108.799 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.96 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -81.65 -26.87 34.42 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.039 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.72 -23.29 11.85 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.139 -0.976 . . . . 0.0 110.986 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.551 ' CB ' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -90.79 117.04 67.66 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.136 -0.977 . . . . 0.0 110.896 -179.811 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.551 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 52.9 Cg_endo -84.8 41.17 0.92 Allowed 'Trans proline' 0 C--N 1.307 -1.633 0 O-C-N 123.77 1.405 . . . . 0.0 110.002 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.551 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 3.8 tt0 78.77 -22.45 0.28 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.528 -0.732 . . . . 0.0 110.548 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 14.3 mmm180 61.58 11.31 3.78 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.931 -1.105 . . . . 0.0 110.226 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -115.98 17.26 15.98 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.422 -0.799 . . . . 0.0 109.264 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.36 -5.48 43.25 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.607 -0.683 . . . . 0.0 110.378 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.538 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 11.2 ttp180 . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 121.259 0.552 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 23' ' ' ARG . . . 177.82 147.71 0.34 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.206 -0.934 . . . . 0.0 110.126 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.565 ' HG2' ' CB ' ' A' ' 28' ' ' GLN . 48.5 Cg_endo -76.59 46.03 1.76 Allowed 'Trans proline' 0 C--N 1.304 -1.814 0 O-C-N 123.884 1.465 . . . . 0.0 110.706 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.32 -79.79 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.151 -0.968 . . . . 0.0 110.746 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.512 ' O ' ' HB3' ' A' ' 28' ' ' GLN . 15.1 mtm-85 -105.84 -32.97 8.12 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.072 -1.017 . . . . 0.0 110.42 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.565 ' CB ' ' HG2' ' A' ' 25' ' ' PRO . 30.7 tt0 70.14 108.19 0.06 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.582 -0.698 . . . . 0.0 111.395 179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.09 141.74 0.84 Allowed Glycine 0 N--CA 1.493 2.463 0 C-N-CA 120.258 -0.972 . . . . 0.0 110.901 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 40.3 m -71.05 173.68 7.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.629 -0.924 . . . . 0.0 110.31 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.607 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 13.6 m95 -90.81 -2.24 57.79 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.11 1.64 0.11 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 119.616 -0.834 . . . . 0.0 112.462 -176.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -95.45 -38.13 10.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.501 -1.374 . . . . 0.0 109.423 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.5 ' O ' ' HG2' ' A' ' 35' ' ' LYS . . . 84.92 34.62 14.68 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 178.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 34' ' ' GLY . 12.0 mttt -151.94 144.38 24.11 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.019 -1.283 . . . . 0.0 111.116 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.9 p -85.42 153.04 22.77 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.742 -0.599 . . . . 0.0 110.185 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.473 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 118.42 0.79 16.06 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.483 ' C ' HG13 ' A' ' 39' ' ' VAL . 0.9 OUTLIER 176.26 176.4 0.27 Allowed 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.291 -1.123 . . . . 0.0 109.025 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.767 HG23 ' H ' ' A' ' 41' ' ' ALA . 34.0 m -141.67 -171.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 120.988 -1.07 . . . . 0.0 111.489 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.0 ttt -70.46 -10.4 59.04 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 121.691 0.758 . . . . 0.0 109.408 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.767 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -90.02 -30.86 17.47 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.665 -0.647 . . . . 0.0 109.548 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.565 ' HG2' HG22 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -123.19 -6.24 8.32 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 119.069 -1.053 . . . . 0.0 111.759 -179.592 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 39' ' ' VAL . 34.6 t -79.98 127.54 76.78 Favored Pre-proline 0 N--CA 1.499 1.983 0 O-C-N 120.762 -1.211 . . . . 0.0 110.062 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 51.8 Cg_endo -78.06 57.06 5.98 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.889 1.468 . . . . 0.0 110.435 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 44' ' ' PRO . 1.4 mm-40 -138.18 21.92 2.79 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.147 -0.971 . . . . 0.0 109.562 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -97.83 -27.75 14.16 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.319 -0.863 . . . . 0.0 110.504 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -176.13 30.5 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.974 -1.079 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -112.2 101.56 9.79 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.012 -1.055 . . . . 0.0 110.022 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 CA-C-O 117.933 -1.482 . . . . 0.0 109.671 -179.909 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.638 ' CA ' ' HA ' ' A' ' 39' ' ' VAL . 17.2 m . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.378 0.609 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.712 ' N ' ' CD1' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -91.3 24.41 2.94 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.377 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' HE2' ' HB2' ' A' ' 32' ' ' LYS . 0.6 OUTLIER -149.88 -43.51 0.13 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.638 -0.664 . . . . 0.0 110.917 -178.451 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -79.72 -41.52 26.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.909 -1.119 . . . . 0.0 109.359 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.508 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 90.61 42.93 5.0 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' HB3' ' NE2' ' A' ' 38' ' ' HIS . 3.5 ttpt -145.15 147.41 32.47 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 120.933 -1.333 . . . . 0.0 111.096 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.497 ' O ' ' CD2' ' A' ' 38' ' ' HIS . 43.5 p -82.48 -171.15 3.31 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.313 -0.867 . . . . 0.0 110.324 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 75.85 -1.26 59.35 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 38' ' ' HIS . 0.4 OUTLIER 172.97 152.89 0.08 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.527 -0.984 . . . . 0.0 108.457 179.663 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.926 HG23 ' H ' ' A' ' 41' ' ' ALA . 14.8 m -123.29 -164.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 C-N-CA 118.963 -1.095 . . . . 0.0 110.196 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.7 ttt -65.97 -16.73 64.14 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.181 -0.949 . . . . 0.0 109.217 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.926 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -90.97 -28.69 17.87 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.737 -0.602 . . . . 0.0 109.92 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.93 -11.78 13.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.91 . . . . 0.0 110.878 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.678 0 O-C-N 121.058 -1.026 . . . . 0.0 110.079 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.957 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 22.3 m . . . . . 0 N--CA 1.491 1.606 0 CA-C-O 121.242 0.544 . . . . 0.0 109.794 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.598 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 22.3 m95 -91.76 11.51 24.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.361 -0.837 . . . . 0.0 108.747 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.1 -48.09 0.21 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.751 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.957 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 5.6 p -79.39 -41.23 28.2 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.734 -1.229 . . . . 0.0 110.597 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.508 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 85.56 45.51 5.77 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -147.65 157.13 43.41 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.315 -1.109 . . . . 0.0 110.01 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.7 p -86.48 -176.32 5.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.266 -0.896 . . . . 0.0 110.829 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.508 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 79.87 2.89 89.02 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER 173.49 167.01 0.17 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.538 -0.978 . . . . 0.0 109.169 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.639 HG23 ' H ' ' A' ' 41' ' ' ALA . 34.1 m -136.32 -162.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 O-C-N 121.439 -0.788 . . . . 0.0 110.089 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.573 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 26.0 ptm -72.22 -22.34 61.27 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.039 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.639 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -91.32 -15.13 29.57 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.69 -0.631 . . . . 0.0 109.875 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -128.98 0.63 5.29 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.229 -0.92 . . . . 0.0 111.143 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.945 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.78 0 O-C-N 120.981 -1.075 . . . . 0.0 110.478 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 1.349 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 1.4 p . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 121.342 0.591 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.714 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -90.16 29.2 1.27 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -0.851 . . . . 0.0 109.81 -178.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.99 -37.99 0.05 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.001 -1.062 . . . . 0.0 111.746 -178.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 1.349 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 14.3 p -79.49 -38.29 34.8 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.725 -1.235 . . . . 0.0 110.351 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.505 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 92.34 45.07 3.87 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.554 ' HB3' ' NE2' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -145.61 145.86 31.13 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.204 -1.174 . . . . 0.0 110.084 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.4 p -92.09 -162.37 0.92 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.238 -0.914 . . . . 0.0 110.736 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 62.32 13.06 41.7 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.583 ' CD2' ' SG ' ' A' ' 43' ' ' CYS . 2.0 p-80 172.56 163.91 0.12 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.723 HG23 ' H ' ' A' ' 41' ' ' ALA . 20.4 m -130.48 -169.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 O-C-N 121.104 -0.997 . . . . 0.0 110.615 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.429 ' N ' ' HA ' ' A' ' 30' ' ' CYS . 3.4 tmm? -64.14 -24.36 67.66 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.968 0.89 . . . . 0.0 108.907 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.723 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -84.81 -21.4 29.92 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.548 ' CE ' ' HA ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -103.63 -30.67 10.32 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.484 -0.76 . . . . 0.0 110.199 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.583 ' SG ' ' CD2' ' A' ' 38' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.319 -0.863 . . . . 0.0 110.376 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.53 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 1.2 m . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.247 0.546 . . . . 0.0 110.625 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.593 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 25.6 m95 -92.14 14.23 16.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.361 -0.837 . . . . 0.0 109.478 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.572 ' HE3' ' N ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -157.2 -36.97 0.07 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.499 -0.75 . . . . 0.0 110.811 -177.556 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.572 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 1.2 t -77.5 -42.51 35.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.199 -0.938 . . . . 0.0 108.581 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' O ' ' HG2' ' A' ' 35' ' ' LYS . . . 87.32 44.57 5.56 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.089 -1.205 . . . . 0.0 110.089 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 9.5 mmmt -153.31 156.36 38.23 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.125 -1.221 . . . . 0.0 110.183 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.9 p -89.5 -169.18 2.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.276 -0.89 . . . . 0.0 110.522 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.531 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 74.2 1.95 61.39 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.381 -1.488 . . . . 0.0 109.381 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.552 ' ND1' ' O ' ' A' ' 38' ' ' HIS . 0.4 OUTLIER 173.83 132.32 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.943 HG23 ' H ' ' A' ' 41' ' ' ALA . 5.8 m -106.11 -152.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.286 -2.186 0 O-C-N 121.068 -1.02 . . . . 0.0 109.239 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.427 ' C ' ' SD ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -71.48 -25.61 62.35 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 121.343 -0.848 . . . . 0.0 109.44 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.943 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -84.02 -30.1 26.4 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.663 -0.648 . . . . 0.0 109.613 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 43' ' ' CYS . 0.7 OUTLIER -103.32 -18.07 15.02 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.385 -0.822 . . . . 0.0 110.366 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.116 -0.99 . . . . 0.0 110.471 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 120.979 0.419 . . . . 0.0 110.507 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.727 ' N ' ' CD1' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -89.68 8.49 31.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.046 -1.034 . . . . 0.0 108.449 179.377 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.39 -30.19 0.67 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.688 -0.633 . . . . 0.0 110.651 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.566 ' HB3' ' CB ' ' A' ' 30' ' ' CYS . 7.9 t -79.31 -34.02 42.72 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.0 110.31 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.27 16.45 64.57 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.23 167.73 16.45 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.392 -1.063 . . . . 0.0 110.003 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.6 p -107.6 -158.01 0.64 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.24 -0.913 . . . . 0.0 110.081 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.497 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 69.25 7.42 57.16 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.527 ' C ' ' CD2' ' A' ' 38' ' ' HIS . 2.9 p-80 177.72 -178.04 0.21 Allowed 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.65 HG23 ' H ' ' A' ' 42' ' ' LYS . 35.5 m -140.87 -164.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 O-C-N 121.055 -1.028 . . . . 0.0 111.116 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.6 ttt -81.32 -15.95 53.88 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.596 0.712 . . . . 0.0 109.204 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.501 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -87.02 -28.52 22.57 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.65 ' H ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -123.57 8.7 8.94 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 121.452 0.644 . . . . 0.0 109.618 179.226 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.731 0 O-C-N 121.45 -0.781 . . . . 0.0 110.91 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 120.978 0.418 . . . . 0.0 110.163 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.686 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.6 OUTLIER -88.43 6.85 35.59 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.253 -0.979 . . . . 0.0 108.822 179.296 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.453 ' HG2' ' SD ' ' A' ' 40' ' ' MET . 4.0 ptpt -124.49 -58.97 1.49 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.406 -0.809 . . . . 0.0 111.535 -178.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.515 ' SG ' ' CB ' ' A' ' 30' ' ' CYS . 20.6 p -83.14 -36.76 24.51 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.835 -1.166 . . . . 0.0 111.01 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.466 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 90.97 55.62 1.84 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.595 ' HB3' ' CE1' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -142.39 154.68 44.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.252 -1.146 . . . . 0.0 109.976 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.4 p -92.72 -176.9 4.39 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.142 -0.974 . . . . 0.0 110.557 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 75.78 3.69 74.22 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.595 ' CE1' ' HB3' ' A' ' 35' ' ' LYS . 8.4 p-80 176.68 144.28 0.08 Allowed 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.461 -1.023 . . . . 0.0 109.21 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.615 ' O ' ' N ' ' A' ' 43' ' ' CYS . 16.1 m -116.92 -167.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.128 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.631 ' HB3' ' CD2' ' A' ' 31' ' ' TRP . 9.1 tpt -62.62 -18.91 63.15 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.593 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -87.45 -30.84 20.37 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.246 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' CYS . 9.4 tppt? -119.77 0.09 10.82 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.928 -1.108 . . . . 0.0 110.782 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.615 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.771 0 O-C-N 121.349 -0.844 . . . . 0.0 110.887 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 1.262 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 59.4 m . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.414 0.626 . . . . 0.0 110.773 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.669 ' N ' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -90.5 16.28 9.24 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.31 -35.4 0.46 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.432 -0.793 . . . . 0.0 111.317 -178.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -82.14 -42.23 19.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.719 -1.238 . . . . 0.0 110.283 -179.714 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.468 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 96.64 42.27 3.42 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -150.57 162.78 39.98 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.116 -1.226 . . . . 0.0 110.322 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.8 p -100.16 173.0 6.83 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.197 -0.94 . . . . 0.0 110.469 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.553 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 92.23 16.79 49.12 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.553 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER 165.25 164.6 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.83 HG23 ' H ' ' A' ' 41' ' ' ALA . 21.5 m -129.27 -172.24 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 120.845 -1.159 . . . . 0.0 110.83 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.602 ' HB3' ' CD2' ' A' ' 31' ' ' TRP . 3.2 ttt -70.54 -12.38 61.53 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.629 0.728 . . . . 0.0 109.208 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.83 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -87.66 -28.86 21.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.514 -0.741 . . . . 0.0 109.758 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.809 ' HG2' HG22 ' A' ' 39' ' ' VAL . 12.6 ptpt -128.12 1.42 5.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.981 -1.075 . . . . 0.0 111.576 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 1.262 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.89 0 O-C-N 120.642 -1.286 . . . . 0.0 109.968 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 1.166 ' SG ' ' SG ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.141 0.496 . . . . 0.0 111.261 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.682 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -91.08 -8.12 49.78 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.121 -0.987 . . . . 0.0 108.773 178.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.558 ' HD3' ' HB2' ' A' ' 40' ' ' MET . 0.0 OUTLIER -122.83 -36.02 2.95 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.673 -0.642 . . . . 0.0 110.331 -179.107 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.603 ' HB3' ' CB ' ' A' ' 30' ' ' CYS . 30.3 t -78.93 -32.58 45.65 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.269 -0.894 . . . . 0.0 109.327 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.96 36.66 57.12 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 108.486 -1.846 . . . . 0.0 108.486 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -137.9 163.33 31.73 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.404 -1.057 . . . . 0.0 110.655 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.2 p -102.33 -174.0 2.47 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.447 -0.783 . . . . 0.0 109.933 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 77.74 -0.88 69.55 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.508 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 55.0 p-80 177.1 161.52 0.44 Allowed 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.959 HG23 ' H ' ' A' ' 41' ' ' ALA . 7.9 m -133.26 -162.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.04 0 O-C-N 121.058 -1.026 . . . . 0.0 110.069 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.623 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 9.0 tpt -66.69 -20.8 66.05 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.695 0.759 . . . . 0.0 109.603 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.959 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -83.36 -32.7 26.09 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.655 -0.653 . . . . 0.0 109.485 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -108.73 -9.14 15.26 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.57 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 1.166 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.89 0 O-C-N 121.149 -0.969 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.993 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 9.3 m . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.356 0.598 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 20.1 m95 -90.3 -6.83 54.67 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.352 -0.843 . . . . 0.0 108.844 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.51 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -153.47 13.26 0.48 Allowed 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.625 -0.672 . . . . 0.0 110.833 -177.385 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.993 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -108.05 -35.1 6.69 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.076 -1.015 . . . . 0.0 109.273 179.61 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' A' ' 35' ' ' LYS . . . 91.29 25.01 25.1 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 120.105 -1.045 . . . . 0.0 110.611 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.454 ' O ' ' SG ' ' A' ' 30' ' ' CYS . 14.0 mtmt -160.87 155.06 22.96 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.924 -1.339 . . . . 0.0 110.526 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.585 ' O ' ' CE1' ' A' ' 38' ' ' HIS . 12.0 p -88.39 -163.53 0.98 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.234 -0.916 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.498 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 82.04 4.8 90.14 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 167.89 149.33 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.998 HG23 ' H ' ' A' ' 41' ' ' ALA . 16.6 m -122.19 -161.27 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 O-C-N 121.036 -1.04 . . . . 0.0 110.188 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.589 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -65.23 -17.08 64.2 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.19 -0.944 . . . . 0.0 109.072 179.721 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.998 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -90.32 -27.96 19.07 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.737 -0.602 . . . . 0.0 109.485 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.97 -21.47 12.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.884 . . . . 0.0 111.306 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.5 2.047 0 O-C-N 121.182 -0.949 . . . . 0.0 110.747 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.738 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 121.452 0.644 . . . . 0.0 110.478 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.574 ' N ' ' CD1' ' A' ' 31' ' ' TRP . 24.3 m95 -92.27 -12.58 32.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.451 -0.78 . . . . 0.0 109.927 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.531 ' HE2' ' HB2' ' A' ' 31' ' ' TRP . 6.0 mmtt -108.59 -62.79 1.41 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.657 -0.652 . . . . 0.0 111.109 -177.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.738 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 14.5 p -77.54 -18.4 57.01 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.467 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.63 50.14 32.83 Favored Glycine 0 N--CA 1.483 1.831 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 30' ' ' CYS . 0.3 OUTLIER -136.41 143.57 44.02 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.407 -1.055 . . . . 0.0 110.292 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.4 p -84.23 -171.22 3.49 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.384 -0.823 . . . . 0.0 110.624 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 70.98 5.35 57.98 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.576 ' CD2' ' SG ' ' A' ' 43' ' ' CYS . 2.7 p-80 175.59 156.13 0.19 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.715 HG23 ' H ' ' A' ' 41' ' ' ALA . 32.4 m -126.64 -166.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 O-C-N 120.883 -1.136 . . . . 0.0 110.587 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.531 ' HB2' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -69.32 -20.01 63.88 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.25 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.715 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -86.16 -24.83 26.02 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.62 -0.675 . . . . 0.0 109.43 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.27 -32.4 8.2 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.227 -0.921 . . . . 0.0 110.047 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.576 ' SG ' ' CD2' ' A' ' 38' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.562 ' SG ' ' CB ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.036 0.446 . . . . 0.0 110.491 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.725 ' N ' ' CD1' ' A' ' 31' ' ' TRP . 1.1 m0 -90.43 9.63 28.37 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.978 -1.076 . . . . 0.0 108.603 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HG2' ' SD ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -144.37 -37.39 0.31 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.529 -0.732 . . . . 0.0 110.611 -178.809 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.476 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -78.94 -54.06 6.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.344 -0.848 . . . . 0.0 109.193 179.811 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.41 57.1 0.63 Allowed Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.944 -1.122 . . . . 0.0 110.51 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -160.1 141.57 12.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.167 -1.196 . . . . 0.0 110.641 179.479 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.53 -179.51 6.64 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.471 -0.768 . . . . 0.0 110.335 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.467 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 82.85 0.99 90.57 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.581 ' CD2' ' SG ' ' A' ' 43' ' ' CYS . 3.1 p-80 177.25 153.09 0.23 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.469 -1.018 . . . . 0.0 108.748 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.96 HG23 ' H ' ' A' ' 41' ' ' ALA . 6.4 m -130.96 -164.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 O-C-N 121.128 -0.982 . . . . 0.0 110.608 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.492 ' SD ' ' HG2' ' A' ' 32' ' ' LYS . 1.7 mtm -59.22 -26.4 64.83 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 122.227 1.013 . . . . 0.0 108.799 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.96 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -81.65 -26.87 34.42 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.039 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.72 -23.29 11.85 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.139 -0.976 . . . . 0.0 110.986 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.581 ' SG ' ' CD2' ' A' ' 38' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.136 -0.977 . . . . 0.0 110.896 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 40.3 m . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.457 0.646 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.607 ' N ' ' CD1' ' A' ' 31' ' ' TRP . 13.6 m95 -90.81 -2.24 57.79 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.11 1.64 0.11 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 119.616 -0.834 . . . . 0.0 112.462 -176.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -95.45 -38.13 10.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.501 -1.374 . . . . 0.0 109.423 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.5 ' O ' ' HG2' ' A' ' 35' ' ' LYS . . . 84.92 34.62 14.68 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 178.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 34' ' ' GLY . 12.0 mttt -151.94 144.38 24.11 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.019 -1.283 . . . . 0.0 111.116 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.9 p -85.42 153.04 22.77 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.742 -0.599 . . . . 0.0 110.185 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.473 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 118.42 0.79 16.06 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.557 ' CD2' ' SG ' ' A' ' 30' ' ' CYS . 0.9 OUTLIER 176.26 176.4 0.27 Allowed 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.291 -1.123 . . . . 0.0 109.025 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.767 HG23 ' H ' ' A' ' 41' ' ' ALA . 34.0 m -141.67 -171.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 120.988 -1.07 . . . . 0.0 111.489 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.0 ttt -70.46 -10.4 59.04 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 121.691 0.758 . . . . 0.0 109.408 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.767 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -90.02 -30.86 17.47 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.665 -0.647 . . . . 0.0 109.548 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.565 ' HG2' HG22 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -123.19 -6.24 8.32 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 119.069 -1.053 . . . . 0.0 111.759 -179.592 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 39' ' ' VAL . 34.6 t . . . . . 0 N--CA 1.499 1.983 0 O-C-N 120.762 -1.211 . . . . 0.0 110.062 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.341 0.591 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.09 159.71 26.58 Favored Pre-proline 0 N--CA 1.492 1.673 0 O-C-N 121.321 -0.862 . . . . 0.0 110.54 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -74.38 71.02 4.66 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 O-C-N 124.118 1.589 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -73.1 -29.89 63.25 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.203 -0.936 . . . . 0.0 110.248 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.27 12.42 5.35 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.379 -0.825 . . . . 0.0 110.321 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 49.25 78.66 0.09 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.173 -0.954 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.534 ' CA ' ' O ' ' A' ' 35' ' ' LYS . . . 94.55 -173.91 32.92 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.638 ' CA ' ' HA ' ' A' ' 39' ' ' VAL . 17.2 m -65.9 159.04 26.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.369 -1.077 . . . . 0.0 110.122 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.712 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -91.3 24.41 2.94 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.377 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.553 ' NZ ' ' HG3' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -149.88 -43.51 0.13 Allowed 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.638 -0.664 . . . . 0.0 110.917 -178.451 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 0.8 OUTLIER -79.72 -41.52 26.56 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.909 -1.119 . . . . 0.0 109.359 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.508 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 90.61 42.93 5.0 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 178.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' O ' ' CA ' ' A' ' 29' ' ' GLY . 3.5 ttpt -145.15 147.41 32.47 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 120.933 -1.333 . . . . 0.0 111.096 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.497 ' O ' ' CD2' ' A' ' 38' ' ' HIS . 43.5 p -82.48 -171.15 3.31 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.313 -0.867 . . . . 0.0 110.324 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 75.85 -1.26 59.35 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 38' ' ' HIS . 0.4 OUTLIER 172.97 152.89 0.08 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.527 -0.984 . . . . 0.0 108.457 179.663 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.926 HG23 ' H ' ' A' ' 41' ' ' ALA . 14.8 m -123.29 -164.24 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 C-N-CA 118.963 -1.095 . . . . 0.0 110.196 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.7 ttt -65.97 -16.73 64.14 Favored 'General case' 0 C--N 1.296 -1.76 0 O-C-N 121.181 -0.949 . . . . 0.0 109.217 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.926 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -90.97 -28.69 17.87 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.737 -0.602 . . . . 0.0 109.92 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.93 -11.78 13.37 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.91 . . . . 0.0 110.878 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.6 OUTLIER -48.68 167.29 0.21 Allowed Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.058 -1.026 . . . . 0.0 110.079 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -77.49 -13.25 16.66 Favored 'Trans proline' 0 C--N 1.303 -1.856 0 O-C-N 124.138 1.599 . . . . 0.0 111.116 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.553 ' HG3' ' NZ ' ' A' ' 32' ' ' LYS . 3.4 pt-20 -132.2 77.31 1.75 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.825 -1.172 . . . . 0.0 110.708 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 48' ' ' ALA . 7.2 ptt85 -115.79 44.21 1.95 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.361 -0.837 . . . . 0.0 109.851 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.588 ' O ' ' HB3' ' A' ' 48' ' ' ALA . 2.4 tt0 55.57 -89.05 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.182 -0.949 . . . . 0.0 110.224 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' A' ' 47' ' ' GLN . . . 62.15 62.93 1.13 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.262 -0.898 . . . . 0.0 110.234 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 121.202 0.525 . . . . 0.0 110.095 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.429 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -78.34 162.67 65.53 Favored Pre-proline 0 N--CA 1.491 1.603 0 O-C-N 121.312 -0.868 . . . . 0.0 110.325 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.429 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 46.8 Cg_endo -72.68 76.06 2.47 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 O-C-N 123.985 1.518 . . . . 0.0 110.522 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.522 ' HD2' ' N ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -69.39 -6.04 27.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.168 -0.958 . . . . 0.0 110.292 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.45 ' O ' ' HB2' ' A' ' 28' ' ' GLN . 20.0 mtm-85 -64.29 -46.55 83.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.205 -0.934 . . . . 0.0 110.276 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 27' ' ' ARG . 6.3 mm100 55.52 85.06 0.07 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.293 -0.879 . . . . 0.0 110.673 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 121.02 110.62 2.2 Favored Glycine 0 N--CA 1.49 2.282 0 C-N-CA 119.673 -1.251 . . . . 0.0 110.122 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.517 ' SG ' ' HA ' ' A' ' 39' ' ' VAL . 22.3 m -54.73 173.4 0.08 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.382 -1.07 . . . . 0.0 109.794 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.598 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 22.3 m95 -91.76 11.51 24.41 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.361 -0.837 . . . . 0.0 108.747 178.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.1 -48.09 0.21 Allowed 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 119.923 -0.711 . . . . 0.0 111.751 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.508 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 5.6 p -79.39 -41.23 28.2 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.734 -1.229 . . . . 0.0 110.597 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.508 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 85.56 45.51 5.77 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -147.65 157.13 43.41 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.315 -1.109 . . . . 0.0 110.01 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.7 p -86.48 -176.32 5.81 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.266 -0.896 . . . . 0.0 110.829 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.508 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 79.87 2.89 89.02 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 0.0 OUTLIER 173.49 167.01 0.17 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.538 -0.978 . . . . 0.0 109.169 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.639 HG23 ' H ' ' A' ' 41' ' ' ALA . 34.1 m -136.32 -162.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 O-C-N 121.439 -0.788 . . . . 0.0 110.089 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.573 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 26.0 ptm -72.22 -22.34 61.27 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 119.512 -0.875 . . . . 0.0 109.039 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.639 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -91.32 -15.13 29.57 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.69 -0.631 . . . . 0.0 109.875 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.0 ttmt -128.98 0.63 5.29 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.229 -0.92 . . . . 0.0 111.143 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -62.39 132.54 94.21 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 120.981 -1.075 . . . . 0.0 110.478 -179.586 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -77.28 3.09 7.02 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 O-C-N 123.967 1.509 . . . . 0.0 110.206 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -99.7 53.76 0.93 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.255 -0.903 . . . . 0.0 110.316 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.97 -46.32 57.8 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.159 -0.963 . . . . 0.0 109.866 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -171.9 36.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.497 -0.752 . . . . 0.0 109.741 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -112.04 5.68 18.84 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.381 -0.825 . . . . 0.0 110.313 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.381 0 CA-C-O 118.01 -1.439 . . . . 0.0 109.761 179.889 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.531 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 2.9 ttm180 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.248 0.547 . . . . 0.0 110.202 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.531 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . 59.05 155.07 0.09 OUTLIER Pre-proline 0 N--CA 1.49 1.528 0 O-C-N 121.241 -0.912 . . . . 0.0 110.111 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.529 ' O ' HG12 ' A' ' 39' ' ' VAL . 51.0 Cg_endo -77.5 7.44 3.81 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 O-C-N 124.109 1.584 . . . . 0.0 110.964 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 25' ' ' PRO . 3.0 mtt180 58.14 124.84 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.323 -0.861 . . . . 0.0 110.607 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 43.9 25.12 0.09 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.266 -0.896 . . . . 0.0 110.438 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.451 ' HA ' ' HG2' ' A' ' 25' ' ' PRO . 40.8 mt-30 53.67 68.17 0.89 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.174 -0.954 . . . . 0.0 110.704 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 35' ' ' LYS . . . 107.12 161.92 21.8 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 110.046 -1.222 . . . . 0.0 110.046 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.592 ' CA ' ' HA ' ' A' ' 39' ' ' VAL . 1.4 p -39.99 154.61 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.442 -1.034 . . . . 0.0 110.387 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.714 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -90.16 29.2 1.27 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.339 -0.851 . . . . 0.0 109.81 -178.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.99 -37.99 0.05 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.001 -1.062 . . . . 0.0 111.746 -178.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.505 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 14.3 p -79.49 -38.29 34.8 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.725 -1.235 . . . . 0.0 110.351 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.505 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 92.34 45.07 3.87 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.554 ' HB3' ' NE2' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -145.61 145.86 31.13 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.204 -1.174 . . . . 0.0 110.084 179.829 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.457 ' HA ' ' HA2' ' A' ' 29' ' ' GLY . 40.4 p -92.09 -162.37 0.92 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.238 -0.914 . . . . 0.0 110.736 -179.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.524 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 62.32 13.06 41.7 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.576 -1.41 . . . . 0.0 109.576 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.554 ' NE2' ' HB3' ' A' ' 35' ' ' LYS . 2.0 p-80 172.56 163.91 0.12 Allowed 'General case' 0 N--CA 1.485 1.322 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.723 HG23 ' H ' ' A' ' 41' ' ' ALA . 20.4 m -130.48 -169.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 O-C-N 121.104 -0.997 . . . . 0.0 110.615 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.429 ' N ' ' HA ' ' A' ' 30' ' ' CYS . 3.4 tmm? -64.14 -24.36 67.66 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-O 121.968 0.89 . . . . 0.0 108.907 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.723 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -84.81 -21.4 29.92 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.548 ' CE ' ' HA ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -103.63 -30.67 10.32 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.484 -0.76 . . . . 0.0 110.199 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -86.06 109.08 20.02 Favored Pre-proline 0 N--CA 1.496 1.827 0 O-C-N 121.319 -0.863 . . . . 0.0 110.376 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.527 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 44.2 Cg_endo -70.91 59.04 2.17 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 O-C-N 124.035 1.545 . . . . 0.0 110.285 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 44' ' ' PRO . 5.8 pt-20 38.3 34.79 0.08 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.539 -0.726 . . . . 0.0 110.699 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.519 ' CD ' ' HD2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -69.47 132.17 45.88 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.289 -0.882 . . . . 0.0 110.11 179.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' ARG . 5.1 mt-30 42.85 46.58 4.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.198 -0.939 . . . . 0.0 110.362 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -128.49 36.84 4.21 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.175 -0.953 . . . . 0.0 110.032 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.343 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.941 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.488 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.272 0.558 . . . . 0.0 110.261 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . 57.61 108.05 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.296 -0.877 . . . . 0.0 110.207 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.42 53.42 2.17 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 O-C-N 123.977 1.514 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -78.73 -120.09 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.081 -1.012 . . . . 0.0 109.799 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER 56.17 44.23 25.41 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.822 -1.174 . . . . 0.0 110.575 179.735 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 27' ' ' ARG . 2.5 tt0 39.73 67.94 0.42 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.309 -0.869 . . . . 0.0 110.789 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 40.66 -160.4 0.02 OUTLIER Glycine 0 N--CA 1.491 2.331 0 N-CA-C 110.016 -1.234 . . . . 0.0 110.016 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.53 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 1.2 m -65.7 149.27 50.4 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.46 -1.024 . . . . 0.0 110.625 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.593 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 25.6 m95 -92.14 14.23 16.68 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.361 -0.837 . . . . 0.0 109.478 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.572 ' HE3' ' N ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -157.2 -36.97 0.07 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.499 -0.75 . . . . 0.0 110.811 -177.556 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.572 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 1.2 t -77.5 -42.51 35.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.199 -0.938 . . . . 0.0 108.581 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' O ' ' HG2' ' A' ' 35' ' ' LYS . . . 87.32 44.57 5.56 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 110.089 -1.205 . . . . 0.0 110.089 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 9.5 mmmt -153.31 156.36 38.23 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.125 -1.221 . . . . 0.0 110.183 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.9 p -89.5 -169.18 2.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.276 -0.89 . . . . 0.0 110.522 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.531 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 74.2 1.95 61.39 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.381 -1.488 . . . . 0.0 109.381 -179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.552 ' ND1' ' O ' ' A' ' 38' ' ' HIS . 0.4 OUTLIER 173.83 132.32 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.738 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.943 HG23 ' H ' ' A' ' 41' ' ' ALA . 5.8 m -106.11 -152.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.286 -2.186 0 O-C-N 121.068 -1.02 . . . . 0.0 109.239 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.427 ' C ' ' SD ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -71.48 -25.61 62.35 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 121.343 -0.848 . . . . 0.0 109.44 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.943 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -84.02 -30.1 26.4 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.663 -0.648 . . . . 0.0 109.613 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 43' ' ' CYS . 0.7 OUTLIER -103.32 -18.07 15.02 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.385 -0.822 . . . . 0.0 110.366 179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -48.5 174.47 0.05 OUTLIER Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.116 -0.99 . . . . 0.0 110.471 -179.649 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.458 ' HD2' ' CB ' ' A' ' 43' ' ' CYS . 44.0 Cg_endo -70.86 -12.9 31.46 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 O-C-N 124.164 1.613 . . . . 0.0 110.332 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -67.63 -21.81 65.36 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.269 -0.894 . . . . 0.0 109.695 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.527 ' N ' ' HD3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -52.71 141.94 19.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.362 -0.836 . . . . 0.0 110.838 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 46' ' ' ARG . 1.5 tt0 39.34 41.7 0.71 Allowed 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.451 -0.78 . . . . 0.0 110.507 179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.51 173.91 11.16 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.184 -0.948 . . . . 0.0 110.339 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 CA-C-O 117.902 -1.499 . . . . 0.0 109.503 -179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.8 ptt85 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.338 0.589 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.13 137.09 25.17 Favored Pre-proline 0 N--CA 1.492 1.672 0 O-C-N 121.313 -0.867 . . . . 0.0 109.951 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ARG . 47.7 Cg_endo -72.74 -16.65 26.45 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 O-C-N 123.914 1.481 . . . . 0.0 110.593 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.475 ' HB3' ' O ' ' A' ' 25' ' ' PRO . 3.1 ttm-85 60.76 -74.75 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.379 -0.826 . . . . 0.0 110.277 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 25' ' ' PRO . 1.8 mpt_? -47.5 163.25 0.05 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.141 -0.975 . . . . 0.0 110.371 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.453 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 3.6 pt20 -92.69 62.33 3.78 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.18 -0.95 . . . . 0.0 110.537 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 36' ' ' THR . . . 63.44 -138.53 43.14 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -83.57 139.19 33.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.603 -0.94 . . . . 0.0 110.507 -179.524 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.727 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -89.68 8.49 31.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.046 -1.034 . . . . 0.0 108.449 179.377 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.39 -30.19 0.67 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.688 -0.633 . . . . 0.0 110.651 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.432 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 7.9 t -79.31 -34.02 42.72 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.158 -0.964 . . . . 0.0 110.31 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.27 16.45 64.57 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.23 167.73 16.45 Favored 'General case' 0 C--N 1.305 -1.337 0 O-C-N 121.392 -1.063 . . . . 0.0 110.003 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.453 ' HA ' ' HA3' ' A' ' 29' ' ' GLY . 20.6 p -107.6 -158.01 0.64 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.24 -0.913 . . . . 0.0 110.081 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.497 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 69.25 7.42 57.16 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.527 ' C ' ' CD2' ' A' ' 38' ' ' HIS . 2.9 p-80 177.72 -178.04 0.21 Allowed 'General case' 0 C--N 1.307 -1.273 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.65 HG23 ' H ' ' A' ' 42' ' ' LYS . 35.5 m -140.87 -164.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 O-C-N 121.055 -1.028 . . . . 0.0 111.116 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.6 ttt -81.32 -15.95 53.88 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.596 0.712 . . . . 0.0 109.204 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.501 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -87.02 -28.52 22.57 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.65 ' H ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -123.57 8.7 8.94 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-O 121.452 0.644 . . . . 0.0 109.618 179.226 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -45.39 117.35 3.45 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.45 -0.781 . . . . 0.0 110.91 -179.73 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -82.6 8.68 4.42 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 O-C-N 123.935 1.492 . . . . 0.0 110.089 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.5 68.65 0.69 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.242 -0.911 . . . . 0.0 110.421 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.78 -31.08 7.31 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.266 -0.896 . . . . 0.0 110.118 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.63 57.49 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -0.9 . . . . 0.0 109.943 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.95 -45.03 1.75 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.222 -0.923 . . . . 0.0 109.878 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 179.842 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.659 ' HE ' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.309 0.576 . . . . 0.0 109.993 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.659 ' HB2' ' HE ' ' A' ' 23' ' ' ARG . . . -140.76 166.89 19.78 Favored Pre-proline 0 N--CA 1.492 1.665 0 O-C-N 121.319 -0.863 . . . . 0.0 110.163 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.537 ' O ' HG11 ' A' ' 39' ' ' VAL . 46.7 Cg_endo -74.87 -62.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.746 0 O-C-N 123.946 1.498 . . . . 0.0 110.281 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER 65.93 154.02 0.08 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.229 -0.92 . . . . 0.0 110.431 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' ARG . 1.0 OUTLIER 41.37 -97.15 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.363 -0.836 . . . . 0.0 110.425 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -173.75 68.57 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.958 -1.089 . . . . 0.0 110.624 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.04 169.55 45.96 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 110.356 -1.098 . . . . 0.0 110.356 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -54.81 150.22 10.18 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.484 -1.01 . . . . 0.0 110.163 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.686 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.6 OUTLIER -88.43 6.85 35.59 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 119.253 -0.979 . . . . 0.0 108.822 179.296 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.453 ' HG2' ' SD ' ' A' ' 40' ' ' MET . 4.0 ptpt -124.49 -58.97 1.49 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.406 -0.809 . . . . 0.0 111.535 -178.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 34' ' ' GLY . 20.6 p -83.14 -36.76 24.51 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.835 -1.166 . . . . 0.0 111.01 -179.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.466 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 90.97 55.62 1.84 Allowed Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.595 ' HB3' ' CE1' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -142.39 154.68 44.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.252 -1.146 . . . . 0.0 109.976 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.4 p -92.72 -176.9 4.39 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.142 -0.974 . . . . 0.0 110.557 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 75.78 3.69 74.22 Favored Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.333 -1.507 . . . . 0.0 109.333 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.595 ' CE1' ' HB3' ' A' ' 35' ' ' LYS . 8.4 p-80 176.68 144.28 0.08 Allowed 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.461 -1.023 . . . . 0.0 109.21 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.615 ' O ' ' N ' ' A' ' 43' ' ' CYS . 16.1 m -116.92 -167.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 C-N-CA 119.443 -0.903 . . . . 0.0 110.128 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.631 ' HB3' ' CD2' ' A' ' 31' ' ' TRP . 9.1 tpt -62.62 -18.91 63.15 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.593 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -87.45 -30.84 20.37 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.246 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' CYS . 9.4 tppt? -119.77 0.09 10.82 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.928 -1.108 . . . . 0.0 110.782 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.615 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -39.83 144.5 0.51 Allowed Pre-proline 0 N--CA 1.494 1.771 0 O-C-N 121.349 -0.844 . . . . 0.0 110.887 -179.546 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.58 ' HD3' ' CG ' ' A' ' 38' ' ' HIS . 47.6 Cg_endo -76.6 -32.6 3.57 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 O-C-N 124.151 1.606 . . . . 0.0 110.254 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.458 ' O ' ' O ' ' A' ' 46' ' ' ARG . 30.2 tt0 -88.89 24.85 1.94 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.405 -0.81 . . . . 0.0 110.03 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -58.06 -117.55 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.378 -0.826 . . . . 0.0 110.254 -179.812 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.449 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -67.53 62.36 0.07 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.779 -1.201 . . . . 0.0 110.09 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . -129.62 18.1 5.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.231 -0.918 . . . . 0.0 110.135 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.382 0 CA-C-O 117.974 -1.459 . . . . 0.0 109.52 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.456 ' O ' ' O ' ' A' ' 24' ' ' ALA . 7.2 mtp180 . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.107 0.479 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 23' ' ' ARG . . . 49.52 98.37 0.04 OUTLIER Pre-proline 0 N--CA 1.491 1.605 0 O-C-N 121.101 -1.0 . . . . 0.0 110.236 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -73.09 -43.84 0.68 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 O-C-N 124.023 1.538 . . . . 0.0 110.056 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.526 ' CG ' ' HG2' ' A' ' 27' ' ' ARG . 1.9 ttt85 -162.95 131.62 3.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.413 -0.804 . . . . 0.0 109.88 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.526 ' HG2' ' CG ' ' A' ' 26' ' ' ARG . 18.8 mmm180 51.84 -140.49 0.89 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.167 -0.958 . . . . 0.0 109.809 -179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -99.5 62.89 1.23 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.109 -0.994 . . . . 0.0 109.819 179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 45.19 -137.3 6.42 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.616 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 59.4 m -68.59 136.19 52.65 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.438 -1.036 . . . . 0.0 110.773 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.669 ' N ' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -90.5 16.28 9.24 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.31 -35.4 0.46 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.432 -0.793 . . . . 0.0 111.317 -178.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.5 ' SG ' ' HB2' ' A' ' 30' ' ' CYS . 0.5 OUTLIER -82.14 -42.23 19.36 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.719 -1.238 . . . . 0.0 110.283 -179.714 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.468 ' N ' ' SG ' ' A' ' 33' ' ' CYS . . . 96.64 42.27 3.42 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -150.57 162.78 39.98 Favored 'General case' 0 N--CA 1.486 1.328 0 O-C-N 121.116 -1.226 . . . . 0.0 110.322 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.8 p -100.16 173.0 6.83 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.197 -0.94 . . . . 0.0 110.469 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.553 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 92.23 16.79 49.12 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.553 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER 165.25 164.6 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.83 HG23 ' H ' ' A' ' 41' ' ' ALA . 21.5 m -129.27 -172.24 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 120.845 -1.159 . . . . 0.0 110.83 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.602 ' HB3' ' CD2' ' A' ' 31' ' ' TRP . 3.2 ttt -70.54 -12.38 61.53 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.629 0.728 . . . . 0.0 109.208 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.83 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -87.66 -28.86 21.57 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.514 -0.741 . . . . 0.0 109.758 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.809 ' HG2' HG22 ' A' ' 39' ' ' VAL . 12.6 ptpt -128.12 1.42 5.85 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.981 -1.075 . . . . 0.0 111.576 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.509 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -53.54 126.44 47.71 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 120.642 -1.286 . . . . 0.0 109.968 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -83.08 21.68 1.0 Allowed 'Trans proline' 0 C--N 1.306 -1.698 0 O-C-N 123.911 1.48 . . . . 0.0 110.795 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -63.36 -17.86 63.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.03 -1.044 . . . . 0.0 110.147 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.14 112.23 3.81 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.262 -0.899 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.37 70.11 0.52 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.346 -0.846 . . . . 0.0 110.447 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -164.26 136.5 4.79 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.289 -0.882 . . . . 0.0 110.164 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.341 0 CA-C-O 118.008 -1.44 . . . . 0.0 109.575 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.714 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.237 0.541 . . . . 0.0 110.292 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.899 ' HB3' ' HD3' ' A' ' 25' ' ' PRO . . . 169.93 -54.57 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.608 0 O-C-N 121.143 -0.973 . . . . 0.0 110.581 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.899 ' HD3' ' HB3' ' A' ' 24' ' ' ALA . 45.9 Cg_endo -73.58 -0.74 9.73 Favored 'Trans proline' 0 C--N 1.307 -1.628 0 O-C-N 123.873 1.46 . . . . 0.0 110.906 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 25' ' ' PRO . 18.4 ttt180 64.14 135.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.168 -0.958 . . . . 0.0 110.231 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 47.4 -152.79 0.08 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.298 -0.876 . . . . 0.0 110.828 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.502 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 4.9 tt0 -91.29 73.2 6.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.246 -0.908 . . . . 0.0 110.706 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.833 ' HA2' HG12 ' A' ' 39' ' ' VAL . . . 31.18 -111.1 0.04 OUTLIER Glycine 0 N--CA 1.497 2.752 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.6 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -82.62 137.15 34.6 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.436 -1.037 . . . . 0.0 111.261 -179.352 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.682 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -91.08 -8.12 49.78 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.121 -0.987 . . . . 0.0 108.773 178.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.558 ' HD3' ' HB2' ' A' ' 40' ' ' MET . 0.0 OUTLIER -122.83 -36.02 2.95 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.673 -0.642 . . . . 0.0 110.331 -179.107 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.6 ' HB3' ' CB ' ' A' ' 30' ' ' CYS . 30.3 t -78.93 -32.58 45.65 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.269 -0.894 . . . . 0.0 109.327 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.96 36.66 57.12 Favored Glycine 0 N--CA 1.487 2.056 0 N-CA-C 108.486 -1.846 . . . . 0.0 108.486 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -137.9 163.33 31.73 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.404 -1.057 . . . . 0.0 110.655 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 13.2 p -102.33 -174.0 2.47 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.447 -0.783 . . . . 0.0 109.933 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 77.74 -0.88 69.55 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' A' ' 37' ' ' GLY . 55.0 p-80 177.1 161.52 0.44 Allowed 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.959 HG23 ' H ' ' A' ' 41' ' ' ALA . 7.9 m -133.26 -162.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.289 -2.04 0 O-C-N 121.058 -1.026 . . . . 0.0 110.069 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.623 ' HB3' ' CE2' ' A' ' 31' ' ' TRP . 9.0 tpt -66.69 -20.8 66.05 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-O 121.695 0.759 . . . . 0.0 109.603 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.959 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -83.36 -32.7 26.09 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.655 -0.653 . . . . 0.0 109.485 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.5 mtmt -108.73 -9.14 15.26 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 119.416 -0.914 . . . . 0.0 110.57 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.514 ' N ' ' O ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -48.46 114.04 3.28 Favored Pre-proline 0 N--CA 1.497 1.89 0 O-C-N 121.149 -0.969 . . . . 0.0 110.895 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -81.34 9.43 3.87 Favored 'Trans proline' 0 C--N 1.306 -1.699 0 O-C-N 123.893 1.47 . . . . 0.0 109.747 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.98 -8.38 55.42 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.247 -0.908 . . . . 0.0 110.838 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.91 -158.12 0.65 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.135 -0.978 . . . . 0.0 110.198 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' GLY . 10.4 pt20 -48.6 -28.4 3.43 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.291 -0.881 . . . . 0.0 110.188 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 47' ' ' GLN . . . -69.61 60.24 0.15 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.263 -0.898 . . . . 0.0 110.212 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' GLN . . . . . . . . 0 N--CA 1.489 2.211 0 CA-C-O 118.016 -1.436 . . . . 0.0 109.699 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' C ' ' HD3' ' A' ' 25' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.213 0.53 . . . . 0.0 110.306 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.578 ' N ' ' CD ' ' A' ' 25' ' ' PRO . . . -124.75 48.05 2.33 Favored Pre-proline 0 N--CA 1.491 1.602 0 O-C-N 121.215 -0.928 . . . . 0.0 110.594 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 24' ' ' ALA . 46.0 Cg_endo -72.89 78.36 2.15 Favored 'Trans proline' 0 C--N 1.304 -1.793 0 O-C-N 123.895 1.471 . . . . 0.0 110.022 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER 51.28 -156.93 0.12 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.173 -0.954 . . . . 0.0 109.845 -179.713 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' ARG . 0.6 OUTLIER -43.71 151.53 0.19 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.939 . . . . 0.0 109.563 179.672 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.561 ' HB2' ' CZ2' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -43.48 144.78 0.69 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.164 -0.96 . . . . 0.0 109.811 -179.82 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.697 ' HA2' HG12 ' A' ' 39' ' ' VAL . . . -56.02 -164.16 0.03 OUTLIER Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.495 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 9.3 m -41.6 123.68 2.28 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.298 -1.119 . . . . 0.0 110.081 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 20.1 m95 -90.3 -6.83 54.67 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.352 -0.843 . . . . 0.0 108.844 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.51 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -153.47 13.26 0.48 Allowed 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.625 -0.672 . . . . 0.0 110.833 -177.385 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.482 ' CB ' ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -108.05 -35.1 6.69 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.076 -1.015 . . . . 0.0 109.273 179.61 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' A' ' 35' ' ' LYS . . . 91.29 25.01 25.1 Favored Glycine 0 N--CA 1.491 2.358 0 C-N-CA 120.105 -1.045 . . . . 0.0 110.611 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' O ' ' SG ' ' A' ' 30' ' ' CYS . 14.0 mtmt -160.87 155.06 22.96 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.924 -1.339 . . . . 0.0 110.526 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.585 ' O ' ' CE1' ' A' ' 38' ' ' HIS . 12.0 p -88.39 -163.53 0.98 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.234 -0.916 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.498 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 82.04 4.8 90.14 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.585 ' CE1' ' O ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 167.89 149.33 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.998 HG23 ' H ' ' A' ' 41' ' ' ALA . 16.6 m -122.19 -161.27 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 O-C-N 121.036 -1.04 . . . . 0.0 110.188 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.589 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -65.23 -17.08 64.2 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.19 -0.944 . . . . 0.0 109.072 179.721 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.998 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -90.32 -27.96 19.07 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.737 -0.602 . . . . 0.0 109.485 179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.515 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 0.9 OUTLIER -108.97 -21.47 12.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.285 -0.884 . . . . 0.0 111.306 -179.701 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -90.85 108.31 26.87 Favored Pre-proline 0 N--CA 1.5 2.047 0 O-C-N 121.182 -0.949 . . . . 0.0 110.747 -179.67 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.515 ' HD3' ' O ' ' A' ' 42' ' ' LYS . 48.5 Cg_endo -96.62 62.72 0.13 Allowed 'Trans proline' 0 C--N 1.309 -1.536 0 C-N-CA 121.778 1.652 . . . . 0.0 110.856 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' C ' ' A' ' 46' ' ' ARG . 1.6 tt0 -130.76 -42.14 1.15 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.775 -1.203 . . . . 0.0 110.819 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.528 ' C ' ' O ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER 20.03 49.75 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 45' ' ' GLU . 1.1 mp0 41.92 29.92 0.15 Allowed 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 122.161 0.981 . . . . 0.0 108.512 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 46' ' ' ARG . . . -84.87 -67.36 0.8 Allowed 'General case' 0 C--N 1.299 -1.595 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.671 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 CA-C-O 118.002 -1.444 . . . . 0.0 109.552 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.488 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.417 0.627 . . . . 0.0 110.366 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.725 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . 57.22 171.9 0.05 OUTLIER Pre-proline 0 N--CA 1.489 1.499 0 O-C-N 121.193 -0.942 . . . . 0.0 110.432 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.725 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 46.8 Cg_endo -74.73 83.61 1.74 Allowed 'Trans proline' 0 C--N 1.303 -1.84 0 O-C-N 124.327 1.698 . . . . 0.0 110.075 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.436 ' HD2' ' H ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -76.41 6.95 4.89 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.284 -0.885 . . . . 0.0 110.884 -179.706 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.461 ' O ' ' CZ2' ' A' ' 31' ' ' TRP . 18.7 mtt-85 -75.12 3.77 8.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.121 -0.987 . . . . 0.0 110.104 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER 62.69 61.82 1.15 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.385 -0.822 . . . . 0.0 109.602 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 28' ' ' GLN . . . 41.99 -144.16 0.96 Allowed Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.544 ' CB ' ' SG ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -85.61 147.05 26.58 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.464 -1.021 . . . . 0.0 110.478 -179.772 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.574 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 24.3 m95 -92.27 -12.58 32.16 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.451 -0.78 . . . . 0.0 109.927 179.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.531 ' HE2' ' HB2' ' A' ' 31' ' ' TRP . 6.0 mmtt -108.59 -62.79 1.41 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.657 -0.652 . . . . 0.0 111.109 -177.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.544 ' SG ' ' CB ' ' A' ' 30' ' ' CYS . 14.5 p -77.54 -18.4 57.01 Favored 'General case' 0 C--N 1.301 -1.526 0 C-N-CA 118.902 -1.119 . . . . 0.0 109.467 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.63 50.14 32.83 Favored Glycine 0 N--CA 1.483 1.831 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 30' ' ' CYS . 0.3 OUTLIER -136.41 143.57 44.02 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.407 -1.055 . . . . 0.0 110.292 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.4 p -84.23 -171.22 3.49 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.384 -0.823 . . . . 0.0 110.624 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 70.98 5.35 57.98 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 38' ' ' HIS . 2.7 p-80 175.59 156.13 0.19 Allowed 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.715 HG23 ' H ' ' A' ' 41' ' ' ALA . 32.4 m -126.64 -166.73 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.918 0 O-C-N 120.883 -1.136 . . . . 0.0 110.587 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.531 ' HB2' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -69.32 -20.01 63.88 Favored 'General case' 0 C--N 1.293 -1.871 0 C-N-CA 119.861 -0.736 . . . . 0.0 109.25 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.715 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -86.16 -24.83 26.02 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.62 -0.675 . . . . 0.0 109.43 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -106.27 -32.4 8.2 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.227 -0.921 . . . . 0.0 110.047 179.68 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.5 ' SG ' ' HD2' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -90.85 111.81 50.09 Favored Pre-proline 0 N--CA 1.492 1.634 0 O-C-N 121.289 -0.882 . . . . 0.0 110.346 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.533 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 48.8 Cg_endo -82.39 48.34 2.76 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 O-C-N 123.91 1.479 . . . . 0.0 110.623 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 1.7 mt-10 74.36 -3.71 2.49 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.619 -0.676 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.5 ' HD2' ' SG ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER 57.17 149.51 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.181 -0.95 . . . . 0.0 111.007 179.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.497 ' C ' ' O ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER 30.3 59.71 0.21 Allowed 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.897 -0.502 . . . . 0.0 110.844 179.709 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -129.57 -52.85 1.16 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.037 -1.04 . . . . 0.0 110.551 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 CA-C-O 117.936 -1.48 . . . . 0.0 109.722 -179.893 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 24' ' ' ALA . 2.7 tpp180 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 120.872 0.368 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 23' ' ' ARG . . . 40.29 73.03 0.91 Allowed Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.275 -0.89 . . . . 0.0 110.726 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -75.66 55.4 4.28 Favored 'Trans proline' 0 C--N 1.301 -1.956 0 O-C-N 124.083 1.57 . . . . 0.0 109.766 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 50.44 -100.51 0.08 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.226 -0.921 . . . . 0.0 109.241 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.454 ' O ' ' C ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -108.84 -55.36 2.41 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 120.973 -1.079 . . . . 0.0 109.297 178.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.506 ' O ' ' HA ' ' A' ' 36' ' ' THR . 0.0 OUTLIER 32.73 56.99 0.42 Allowed 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.556 0.693 . . . . 0.0 110.866 179.733 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.642 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -157.06 173.8 34.65 Favored Glycine 0 N--CA 1.488 2.11 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.551 ' SG ' ' CB ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -79.68 139.26 37.44 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.479 -1.012 . . . . 0.0 110.491 -179.693 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.725 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 1.1 m0 -90.43 9.63 28.37 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 120.978 -1.076 . . . . 0.0 108.603 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HG2' ' SD ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -144.37 -37.39 0.31 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.529 -0.732 . . . . 0.0 110.611 -178.809 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' HB3' ' SG ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -78.94 -54.06 6.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.344 -0.848 . . . . 0.0 109.193 179.811 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.41 57.1 0.63 Allowed Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.944 -1.122 . . . . 0.0 110.51 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.464 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -160.1 141.57 12.58 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.167 -1.196 . . . . 0.0 110.641 179.479 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.605 ' HA ' ' HA2' ' A' ' 29' ' ' GLY . 0.9 OUTLIER -86.53 -179.51 6.64 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.471 -0.768 . . . . 0.0 110.335 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.467 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 82.85 0.99 90.57 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.548 ' CD2' ' O ' ' A' ' 38' ' ' HIS . 3.1 p-80 177.25 153.09 0.23 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 121.469 -1.018 . . . . 0.0 108.748 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.96 HG23 ' H ' ' A' ' 41' ' ' ALA . 6.4 m -130.96 -164.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 O-C-N 121.128 -0.982 . . . . 0.0 110.608 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.492 ' SD ' ' HG2' ' A' ' 32' ' ' LYS . 1.7 mtm -59.22 -26.4 64.83 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 122.227 1.013 . . . . 0.0 108.799 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.96 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -81.65 -26.87 34.42 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.039 -179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.72 -23.29 11.85 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.139 -0.976 . . . . 0.0 110.986 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.551 ' CB ' ' SG ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -90.79 117.04 67.66 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.136 -0.977 . . . . 0.0 110.896 -179.811 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.551 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 52.9 Cg_endo -84.8 41.17 0.92 Allowed 'Trans proline' 0 C--N 1.307 -1.633 0 O-C-N 123.77 1.405 . . . . 0.0 110.002 179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.551 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 3.8 tt0 78.77 -22.45 0.28 Allowed 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.528 -0.732 . . . . 0.0 110.548 -179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 14.3 mmm180 61.58 11.31 3.78 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.931 -1.105 . . . . 0.0 110.226 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -115.98 17.26 15.98 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.422 -0.799 . . . . 0.0 109.264 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -95.36 -5.48 43.25 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.607 -0.683 . . . . 0.0 110.378 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.538 ' O ' ' HB2' ' A' ' 24' ' ' ALA . 11.2 ttp180 . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 121.259 0.552 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 23' ' ' ARG . . . 177.82 147.71 0.34 Allowed Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.206 -0.934 . . . . 0.0 110.126 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.565 ' HG2' ' CB ' ' A' ' 28' ' ' GLN . 48.5 Cg_endo -76.59 46.03 1.76 Allowed 'Trans proline' 0 C--N 1.304 -1.814 0 O-C-N 123.884 1.465 . . . . 0.0 110.706 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.32 -79.79 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.151 -0.968 . . . . 0.0 110.746 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.512 ' O ' ' HB3' ' A' ' 28' ' ' GLN . 15.1 mtm-85 -105.84 -32.97 8.12 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.072 -1.017 . . . . 0.0 110.42 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.565 ' CB ' ' HG2' ' A' ' 25' ' ' PRO . 30.7 tt0 70.14 108.19 0.06 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.582 -0.698 . . . . 0.0 111.395 179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.09 141.74 0.84 Allowed Glycine 0 N--CA 1.493 2.463 0 C-N-CA 120.258 -0.972 . . . . 0.0 110.901 178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 40.3 m -71.05 173.68 7.24 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.629 -0.924 . . . . 0.0 110.31 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.607 ' CD1' ' N ' ' A' ' 31' ' ' TRP . 13.6 m95 -90.81 -2.24 57.79 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.11 1.64 0.11 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 119.616 -0.834 . . . . 0.0 112.462 -176.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -95.45 -38.13 10.6 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.501 -1.374 . . . . 0.0 109.423 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.5 ' O ' ' HG2' ' A' ' 35' ' ' LYS . . . 84.92 34.62 14.68 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 178.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 34' ' ' GLY . 12.0 mttt -151.94 144.38 24.11 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.019 -1.283 . . . . 0.0 111.116 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.9 p -85.42 153.04 22.77 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.742 -0.599 . . . . 0.0 110.185 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.473 ' O ' ' HB3' ' A' ' 38' ' ' HIS . . . 118.42 0.79 16.06 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.483 ' C ' HG13 ' A' ' 39' ' ' VAL . 0.9 OUTLIER 176.26 176.4 0.27 Allowed 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.291 -1.123 . . . . 0.0 109.025 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.767 HG23 ' H ' ' A' ' 41' ' ' ALA . 34.0 m -141.67 -171.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 120.988 -1.07 . . . . 0.0 111.489 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.0 ttt -70.46 -10.4 59.04 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-O 121.691 0.758 . . . . 0.0 109.408 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.767 ' H ' HG23 ' A' ' 39' ' ' VAL . . . -90.02 -30.86 17.47 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.665 -0.647 . . . . 0.0 109.548 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.565 ' HG2' HG22 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -123.19 -6.24 8.32 Favored 'General case' 0 N--CA 1.493 1.718 0 C-N-CA 119.069 -1.053 . . . . 0.0 111.759 -179.592 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 39' ' ' VAL . 34.6 t -79.98 127.54 76.78 Favored Pre-proline 0 N--CA 1.499 1.983 0 O-C-N 120.762 -1.211 . . . . 0.0 110.062 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.407 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 51.8 Cg_endo -78.06 57.06 5.98 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 O-C-N 123.889 1.468 . . . . 0.0 110.435 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 44' ' ' PRO . 1.4 mm-40 -138.18 21.92 2.79 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.147 -0.971 . . . . 0.0 109.562 179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -97.83 -27.75 14.16 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.319 -0.863 . . . . 0.0 110.504 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -176.13 30.5 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.974 -1.079 . . . . 0.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -112.2 101.56 9.79 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.012 -1.055 . . . . 0.0 110.022 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 CA-C-O 117.933 -1.482 . . . . 0.0 109.671 -179.909 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_