data_2kvf_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 2kvf _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 ' 4' ' ' TYR . . . . . 0.676 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.541 ' HG ' ' C ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -157.51 152.98 26.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.127 -0.983 . . . . 0.0 109.647 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.662 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -53.9 -14.08 0.91 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.409 -0.807 . . . . 0.0 109.595 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.3 m 46.03 8.27 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.15 -0.968 . . . . 0.0 109.175 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.662 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -143.06 -53.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.358 -0.839 . . . . 0.0 109.122 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.474 ' N ' HG11 ' A' ' 8' ' ' VAL . 93.5 m -84.76 -40.08 17.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.403 -0.811 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.17 29.36 3.27 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -102.03 -175.19 2.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.22 -1.164 . . . . 0.0 109.443 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.633 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -126.25 149.77 48.86 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.309 -0.87 . . . . 0.0 109.77 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.676 ' O ' ' N ' ' A' ' 4' ' ' TYR . 31.5 m-85 -160.08 136.47 8.86 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.91 . . . . 0.0 109.505 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.2 6.73 47.94 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 108.986 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mp -121.38 98.78 6.13 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.345 -0.847 . . . . 0.0 109.059 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -46.17 -45.34 16.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.294 -0.878 . . . . 0.0 109.421 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' THR . 4.3 m-70 -60.79 -44.2 97.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.104 -0.998 . . . . 0.0 109.084 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.797 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -56.94 -54.12 50.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.261 -0.899 . . . . 0.0 108.793 179.585 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.797 ' N ' HE21 ' A' ' 18' ' ' GLN . 11.0 tmm? -60.21 -48.88 79.86 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.37 -36.07 72.94 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' HIS . 1.2 m -69.76 -22.11 63.38 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.527 ' CD2' ' SG ' ' A' ' 6' ' ' CYS . 5.0 t60 -76.93 -34.42 57.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.556 -0.715 . . . . 0.0 109.43 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.748 ' C ' ' H ' ' A' ' 25' ' ' VAL . 3.3 m-85 -51.77 -30.1 21.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.229 -0.92 . . . . 0.0 109.173 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -50.92 -0.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.124 -0.985 . . . . 0.0 108.389 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.748 ' H ' ' C ' ' A' ' 23' ' ' TYR . 1.7 t -99.36 -19.44 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.474 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 7.6 m-70 . . . . . 0 N--CA 1.488 1.435 0 O-C-N 121.446 -0.784 . . . . 0.0 109.589 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.72 151.29 12.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.243 -0.911 . . . . 0.0 109.601 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.487 ' C ' ' H ' ' A' ' 8' ' ' VAL . 48.2 t -78.3 109.52 12.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.3 -0.875 . . . . 0.0 109.545 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.04 5.31 0.7 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.265 -0.897 . . . . 0.0 109.426 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.487 ' H ' ' C ' ' A' ' 6' ' ' CYS . 1.7 t -116.56 -67.76 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.219 -0.926 . . . . 0.0 109.429 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.481 ' N ' HG11 ' A' ' 8' ' ' VAL . 35.9 m -65.82 -44.82 84.48 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.389 -0.819 . . . . 0.0 109.433 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.57 53.92 0.96 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -126.8 -175.33 3.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.318 -1.107 . . . . 0.0 109.383 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.676 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -123.81 145.77 48.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.236 -0.915 . . . . 0.0 109.779 -179.702 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.676 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 38.6 m-85 -158.17 141.31 15.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.295 -0.878 . . . . 0.0 109.435 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.4 m -102.48 12.13 36.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.231 -0.918 . . . . 0.0 109.23 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' LYS . 3.5 mm? -121.99 100.1 6.8 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.372 -0.83 . . . . 0.0 109.136 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . 36.1 mttm -45.98 -50.74 14.51 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.221 -0.925 . . . . 0.0 109.412 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -56.99 -44.94 83.23 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.143 -0.973 . . . . 0.0 109.201 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.542 ' NE2' ' N ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -57.25 -54.27 48.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.136 -0.978 . . . . 0.0 108.95 179.615 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.542 ' N ' ' NE2' ' A' ' 18' ' ' GLN . 1.8 ttp -58.06 -48.93 78.64 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.164 -0.96 . . . . 0.0 108.42 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.85 -37.48 79.39 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 17' ' ' HIS . 1.1 m -72.08 -21.76 61.45 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.493 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 10.0 t60 -75.99 -31.09 58.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.671 -0.643 . . . . 0.0 109.295 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.755 ' C ' ' H ' ' A' ' 25' ' ' VAL . 1.6 m-85 -59.67 -32.42 70.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.913 . . . . 0.0 109.172 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -52.93 2.59 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.253 -0.904 . . . . 0.0 108.875 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.755 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.1 t -99.42 -13.03 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.43 -0.794 . . . . 0.0 108.937 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.468 ' ND1' ' N ' ' A' ' 26' ' ' HIS . 2.1 m-70 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.544 -0.722 . . . . 0.0 109.438 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.566 ' N ' ' O ' ' A' ' 13' ' ' PHE . 1.1 t80 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.6 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.1 OUTLIER -164.11 156.5 17.13 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.254 -0.904 . . . . 0.0 109.583 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.765 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -73.36 131.62 42.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 0.0 109.3 179.804 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.56 13.62 29.75 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.263 -0.898 . . . . 0.0 109.703 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.476 ' HB ' ' NE2' ' A' ' 26' ' ' HIS . 5.2 t -128.57 -21.37 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.145 -0.972 . . . . 0.0 109.326 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.765 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 20.1 p -128.2 -13.23 5.06 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.32 -0.863 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.01 116.98 0.38 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.687 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 3.3 tmtp? 174.9 179.18 0.13 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -1.119 . . . . 0.0 109.475 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.696 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -127.57 151.02 49.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.187 -0.946 . . . . 0.0 109.829 -179.683 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.696 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 64.3 m-85 -160.22 155.46 24.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.399 -0.813 . . . . 0.0 109.333 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.8 t -109.37 11.39 25.18 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.277 -0.889 . . . . 0.0 108.965 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -134.9 95.45 3.33 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.502 -0.749 . . . . 0.0 109.04 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.98 -31.63 2.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -0.891 . . . . 0.0 109.307 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -67.13 -44.23 80.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.018 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.758 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -56.35 -54.16 48.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.262 -0.899 . . . . 0.0 109.018 179.613 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.758 ' N ' HE21 ' A' ' 18' ' ' GLN . 6.4 ttp -59.44 -49.04 79.32 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 108.839 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.58 -38.41 66.68 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -71.92 -21.93 61.55 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.531 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 2.5 t60 -76.85 -31.11 56.62 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.252 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.742 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.3 m-85 -51.73 -31.77 27.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.271 -0.893 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -0.21 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.131 -0.981 . . . . 0.0 108.494 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.742 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.3 t -98.45 -14.32 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.507 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 9.1 m-70 . . . . . 0 N--CA 1.488 1.453 0 O-C-N 121.493 -0.754 . . . . 0.0 109.488 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.8 m -161.95 167.72 24.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.222 -0.924 . . . . 0.0 109.575 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.694 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -55.39 -13.38 1.41 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.307 -0.871 . . . . 0.0 109.653 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.459 ' HG ' ' HE3' ' A' ' 19' ' ' MET . 0.6 OUTLIER 44.26 10.85 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.097 -1.002 . . . . 0.0 109.038 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.694 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -144.59 -56.0 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.413 -0.804 . . . . 0.0 109.116 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.462 ' N ' HG13 ' A' ' 8' ' ' VAL . 88.0 m -82.67 -48.35 11.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.382 -0.824 . . . . 0.0 109.392 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.79 39.43 0.53 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -114.19 179.5 3.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.249 -1.148 . . . . 0.0 109.342 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.716 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -115.15 149.48 37.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.205 -0.934 . . . . 0.0 109.536 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.716 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 62.5 m-85 -158.55 132.37 7.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 109.513 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.2 t -96.27 8.35 44.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.294 -0.879 . . . . 0.0 109.231 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.9 95.51 3.84 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.37 -0.831 . . . . 0.0 109.17 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 17' ' ' HIS . 64.3 pttt -46.42 -40.24 11.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.28 -0.887 . . . . 0.0 109.468 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.442 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 17.7 t-160 -60.67 -45.26 94.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.114 -0.991 . . . . 0.0 109.131 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.565 ' NE2' ' N ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -59.23 -53.73 54.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.288 -0.883 . . . . 0.0 108.847 179.483 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.589 ' SD ' ' CE1' ' A' ' 23' ' ' TYR . 15.8 tmm? -61.32 -48.16 82.62 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.363 -0.835 . . . . 0.0 108.773 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -53.42 -36.12 61.16 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.55 -21.95 61.08 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.604 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 1.1 t60 -76.46 -30.53 57.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.563 -0.711 . . . . 0.0 109.193 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.725 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.0 m-85 -51.1 -30.67 16.75 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.33 -0.857 . . . . 0.0 109.344 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -50.75 -1.73 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.072 -1.017 . . . . 0.0 108.295 179.265 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.725 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -97.51 0.37 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.43 ' CD2' HG11 ' A' ' 8' ' ' VAL . 5.6 m-70 . . . . . 0 N--CA 1.488 1.434 0 O-C-N 121.453 -0.779 . . . . 0.0 109.54 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.457 ' CE1' ' HE2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.22 0.533 . . . . 0.0 109.6 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -163.73 155.31 16.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.278 -0.889 . . . . 0.0 109.502 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.757 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -65.54 136.52 56.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.213 -0.929 . . . . 0.0 109.361 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.2 30.94 5.5 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -0.908 . . . . 0.0 109.674 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 t -149.59 -34.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.206 -0.934 . . . . 0.0 109.177 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.757 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 8.0 p -113.92 -13.13 12.57 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.427 -0.795 . . . . 0.0 109.408 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.29 118.02 0.35 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.687 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 174.54 176.44 0.15 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.22 -1.165 . . . . 0.0 109.529 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.728 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -122.24 148.16 45.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 0.0 109.71 -179.714 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.728 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 58.3 m-85 -158.75 132.9 7.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.273 -0.892 . . . . 0.0 109.416 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 t -95.27 5.38 51.89 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.238 -0.914 . . . . 0.0 108.963 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mt -127.93 95.77 4.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.507 -0.745 . . . . 0.0 109.141 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.457 ' HE2' ' CE1' ' A' ' 4' ' ' TYR . 37.5 mttt -46.76 -51.68 15.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 0.0 109.598 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.0 -45.15 61.1 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.07 -1.019 . . . . 0.0 109.282 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.756 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -58.31 -54.42 47.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.239 -0.913 . . . . 0.0 109.229 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.756 ' N ' HE21 ' A' ' 18' ' ' GLN . 20.9 ttp -62.74 -46.34 88.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.315 -0.866 . . . . 0.0 108.988 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.07 -35.48 59.6 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.85 -22.4 60.79 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.702 ' CD2' ' SG ' ' A' ' 6' ' ' CYS . 3.7 t60 -77.22 -31.32 55.13 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.42 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.742 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -51.88 -34.43 41.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.194 -0.941 . . . . 0.0 109.338 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -51.21 0.29 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.211 -0.931 . . . . 0.0 108.688 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.742 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.6 t -97.85 0.15 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.459 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 7.3 m-70 . . . . . 0 C--N 1.302 -1.463 0 O-C-N 121.511 -0.743 . . . . 0.0 109.417 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.545 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -162.99 163.92 25.89 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.165 -0.959 . . . . 0.0 109.543 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 31.9 t -78.01 165.6 23.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.91 . . . . 0.0 109.544 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.564 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -123.19 24.79 8.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.264 -0.897 . . . . 0.0 109.411 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -144.16 -38.06 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 0.0 109.115 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 7.6 p -99.59 -32.79 10.91 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.422 -0.799 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.25 82.3 1.31 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -151.71 179.72 8.16 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.337 -1.096 . . . . 0.0 109.309 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.694 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -121.34 145.14 48.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.243 -0.911 . . . . 0.0 109.79 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.694 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 49.5 m-85 -156.43 132.74 9.97 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.275 -0.89 . . . . 0.0 109.484 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.13 -0.83 57.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.874 . . . . 0.0 109.308 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.65 97.33 5.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 0.0 109.08 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -46.43 -40.55 12.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.292 -0.88 . . . . 0.0 109.547 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -59.4 -45.17 92.26 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.211 -0.93 . . . . 0.0 109.242 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.787 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -57.6 -54.13 50.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.157 -0.965 . . . . 0.0 108.982 179.576 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.787 ' N ' HE21 ' A' ' 18' ' ' GLN . 3.3 ttp -61.19 -49.19 78.16 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.379 -0.825 . . . . 0.0 108.881 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.66 -36.93 62.65 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -72.43 -22.05 61.16 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.454 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 4.1 t60 -77.02 -32.15 56.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.567 -0.708 . . . . 0.0 109.233 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.732 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -51.88 -36.81 49.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.27 -0.894 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -47.59 -5.29 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.197 -0.939 . . . . 0.0 108.658 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.732 ' H ' ' C ' ' A' ' 23' ' ' TYR . 5.6 t -96.1 7.26 7.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.516 ' N ' ' O ' ' A' ' 23' ' ' TYR . 5.5 m-70 . . . . . 0 N--CA 1.488 1.426 0 O-C-N 121.481 -0.762 . . . . 0.0 109.535 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.568 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.643 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.5 OUTLIER -164.19 152.41 12.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.291 -0.881 . . . . 0.0 109.414 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -60.51 149.69 33.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.919 . . . . 0.0 109.488 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.405 ' CB ' ' OH ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -117.65 11.63 13.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.22 -0.925 . . . . 0.0 109.567 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 t -131.72 -26.21 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.888 . . . . 0.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 19.0 p -122.89 -16.33 7.12 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.304 -0.872 . . . . 0.0 109.392 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.94 119.76 0.64 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.7 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 175.44 -179.04 0.13 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.233 -1.157 . . . . 0.0 109.487 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.733 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -117.71 145.68 44.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.226 -0.921 . . . . 0.0 109.843 -179.644 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.733 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 52.8 m-85 -158.53 134.52 9.08 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 0.0 109.295 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.23 14.58 31.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.103 -0.998 . . . . 0.0 109.201 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.0 94.58 2.83 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.416 -0.802 . . . . 0.0 109.187 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HE2' ' CZ ' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -46.16 -45.9 16.97 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.25 -0.906 . . . . 0.0 109.38 -179.727 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.602 ' H ' ' CD2' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -56.1 -45.3 79.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 108.826 179.49 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.742 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -60.5 -50.9 71.7 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.224 -0.922 . . . . 0.0 108.672 179.338 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.742 ' N ' HE21 ' A' ' 18' ' ' GLN . 32.0 ttp -62.28 -48.78 78.39 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -37.17 65.6 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -21.88 61.28 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.511 ' CD2' ' C ' ' A' ' 22' ' ' HIS . 1.8 t60 -76.62 -30.98 57.14 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.586 -0.696 . . . . 0.0 109.264 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.757 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.6 m-85 -51.52 -31.25 23.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.285 -0.885 . . . . 0.0 109.195 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.54 1.53 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.123 -0.985 . . . . 0.0 108.609 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.757 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -98.75 -15.65 7.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.462 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 8.8 m-70 . . . . . 0 C--N 1.303 -1.445 0 O-C-N 121.483 -0.761 . . . . 0.0 109.243 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.266 0.555 . . . . 0.0 109.696 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.7 m -162.73 154.69 18.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.363 -0.836 . . . . 0.0 109.423 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.774 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -60.71 150.95 30.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.148 -0.97 . . . . 0.0 109.242 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -116.53 21.05 13.78 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.233 -0.917 . . . . 0.0 109.687 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.96 -34.45 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.209 -0.932 . . . . 0.0 109.261 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.774 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 9.6 p -110.43 -12.87 14.35 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.44 -0.787 . . . . 0.0 109.47 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.44 113.54 0.13 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.707 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -179.16 -179.64 0.58 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.182 -1.187 . . . . 0.0 109.426 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.721 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -117.36 151.68 36.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.151 -0.968 . . . . 0.0 109.753 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.721 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 61.9 m-85 -161.95 131.9 4.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.369 -0.832 . . . . 0.0 109.319 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 m -99.22 9.94 42.42 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.188 -0.945 . . . . 0.0 108.909 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -128.91 96.87 4.47 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.532 -0.73 . . . . 0.0 109.074 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -46.19 -41.76 13.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.221 -0.925 . . . . 0.0 109.523 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -45.31 93.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.098 -1.001 . . . . 0.0 109.091 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.745 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -57.29 -49.35 76.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.916 . . . . 0.0 108.997 179.641 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.745 ' N ' HE21 ' A' ' 18' ' ' GLN . 3.5 tmm? -65.62 -49.15 69.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.294 -0.879 . . . . 0.0 108.817 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.39 -39.76 76.75 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -72.18 -21.94 61.36 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.736 ' CD2' ' SG ' ' A' ' 6' ' ' CYS . 6.9 t60 -76.4 -30.78 57.61 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.664 -0.648 . . . . 0.0 109.492 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.686 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -51.4 -35.91 41.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.081 -1.012 . . . . 0.0 109.296 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.68 -2.98 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 108.408 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.686 ' H ' ' C ' ' A' ' 23' ' ' TYR . 9.1 t -95.76 4.72 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.48 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 7.5 m-70 . . . . . 0 N--CA 1.487 1.388 0 O-C-N 121.547 -0.72 . . . . 0.0 109.492 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.576 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.44 156.16 40.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.274 -0.891 . . . . 0.0 109.47 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.786 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -57.5 -21.15 35.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.212 -0.93 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.459 ' O ' ' OG ' ' A' ' 7' ' ' SER . 2.6 t 48.08 16.39 0.09 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.304 -0.873 . . . . 0.0 109.837 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.496 HG13 ' CD2' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -146.68 -38.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.119 -0.988 . . . . 0.0 108.726 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.786 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -107.72 -36.1 6.51 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.38 64.54 0.55 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.94 179.91 6.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.296 -1.12 . . . . 0.0 109.207 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.671 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -119.09 146.63 44.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.183 -0.948 . . . . 0.0 109.697 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 55.4 m-85 -155.05 131.96 10.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.292 -0.88 . . . . 0.0 109.685 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.5 t -96.21 5.86 50.08 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.152 -0.968 . . . . 0.0 108.738 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mp -127.16 97.33 4.89 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.92 -45.67 15.57 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.235 -0.915 . . . . 0.0 109.297 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 4.3 t60 -55.22 -45.11 75.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 0.0 108.969 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.628 ' NE2' ' N ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -57.8 -54.15 50.17 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.2 -0.937 . . . . 0.0 108.892 179.63 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.628 ' N ' ' NE2' ' A' ' 18' ' ' GLN . 7.8 tmm? -60.47 -48.95 79.53 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.271 -0.893 . . . . 0.0 108.748 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.14 -39.1 77.91 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 17' ' ' HIS . 1.1 m -71.03 -22.37 62.15 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 3.4 t60 -76.96 -31.69 56.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.523 -0.735 . . . . 0.0 109.132 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.759 ' C ' ' H ' ' A' ' 25' ' ' VAL . 1.7 m-85 -51.83 -32.53 32.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.253 -0.904 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -51.87 0.7 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 108.627 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.759 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -98.65 -16.83 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.496 ' CD2' HG13 ' A' ' 8' ' ' VAL . 8.9 m-70 . . . . . 0 N--CA 1.488 1.453 0 O-C-N 121.548 -0.72 . . . . 0.0 109.531 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.564 ' OG ' ' O ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -164.05 166.11 21.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.272 -0.892 . . . . 0.0 109.321 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.765 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -75.52 121.02 21.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.213 -0.93 . . . . 0.0 109.307 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 t -95.62 25.54 4.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.261 -0.899 . . . . 0.0 109.663 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 t -140.63 -30.41 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.18 -0.95 . . . . 0.0 109.322 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.765 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 7.6 p -121.68 -1.63 9.47 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.358 -0.839 . . . . 0.0 109.45 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.3 117.78 0.03 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.7 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 176.45 172.22 0.42 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.303 -1.116 . . . . 0.0 109.564 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.732 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -110.34 150.22 29.09 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.196 -0.94 . . . . 0.0 109.677 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.732 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 44.8 m-85 -163.12 131.93 3.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.365 -0.834 . . . . 0.0 109.28 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.8 t -103.3 14.81 30.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.254 -0.904 . . . . 0.0 108.671 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 mt -134.74 96.53 3.57 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -46.11 -43.44 14.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.885 . . . . 0.0 109.537 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -58.8 -45.18 90.49 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.154 -0.966 . . . . 0.0 109.236 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.642 ' NE2' ' C ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -59.38 -54.34 47.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.243 -0.91 . . . . 0.0 108.877 179.645 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.565 ' N ' HE21 ' A' ' 18' ' ' GLN . 10.5 tmm? -58.01 -48.83 78.87 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -38.38 74.49 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.04 -22.16 62.17 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.624 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -76.36 -30.51 57.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.623 -0.673 . . . . 0.0 109.444 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.694 ' C ' ' H ' ' A' ' 25' ' ' VAL . 1.2 m-85 -50.9 -29.43 12.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.223 -0.923 . . . . 0.0 109.216 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -53.07 -1.42 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.694 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -98.61 -2.64 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.488 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 7.8 m-70 . . . . . 0 N--CA 1.488 1.469 0 O-C-N 121.417 -0.802 . . . . 0.0 109.36 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.236 0.541 . . . . 0.0 109.722 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.685 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -151.26 164.07 37.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.273 -0.892 . . . . 0.0 109.369 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.768 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 8.2 t -72.32 162.0 30.06 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.293 -0.879 . . . . 0.0 109.671 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.59 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 2.1 m -126.75 25.9 6.31 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.391 -0.818 . . . . 0.0 109.51 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.7 -36.2 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.217 -0.927 . . . . 0.0 108.784 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.768 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 4.1 p -110.29 -32.02 7.11 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.516 -0.74 . . . . 0.0 109.038 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.41 87.76 1.67 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.582 ' CD ' ' SG ' ' A' ' 9' ' ' CYS . 2.0 mptp? -150.05 -175.9 5.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -1.15 . . . . 0.0 109.229 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.682 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -129.69 148.99 51.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.084 -1.01 . . . . 0.0 109.955 -179.662 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.682 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 30.0 m-85 -161.67 141.51 10.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.376 -0.827 . . . . 0.0 109.312 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.19 1.32 52.17 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.278 -0.889 . . . . 0.0 108.941 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.57 98.23 5.82 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.503 -0.748 . . . . 0.0 109.132 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -45.95 -32.49 2.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.239 -0.913 . . . . 0.0 109.504 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -67.55 -45.32 76.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.132 -0.98 . . . . 0.0 109.226 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.666 ' NE2' ' C ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -57.99 -54.29 48.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.19 -0.944 . . . . 0.0 108.75 179.587 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.685 ' SD ' ' O ' ' A' ' 5' ' ' SER . 32.3 ttp -58.5 -48.9 79.27 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.73 -36.91 67.76 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.82 -21.78 61.65 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.52 ' NE2' ' SG ' ' A' ' 9' ' ' CYS . 1.9 t60 -76.24 -30.81 58.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.614 -0.679 . . . . 0.0 109.213 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.716 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.1 m-85 -51.31 -30.91 19.81 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.203 -0.936 . . . . 0.0 109.133 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 1.98 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.716 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.3 t -99.35 -2.92 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.447 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 8.9 m-70 . . . . . 0 N--CA 1.488 1.442 0 O-C-N 121.45 -0.781 . . . . 0.0 109.357 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.425 0.631 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.642 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -163.69 158.66 20.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.437 -0.789 . . . . 0.0 108.956 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.781 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -68.48 121.31 16.08 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.07 -1.018 . . . . 0.0 109.573 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.414 ' H ' ' HH ' ' A' ' 23' ' ' TYR . 16.6 t -97.76 18.53 15.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.285 -0.885 . . . . 0.0 109.372 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.2 t -133.1 -28.85 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.27 -0.894 . . . . 0.0 109.401 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.781 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 28.1 p -122.33 -15.01 7.76 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.207 -0.933 . . . . 0.0 109.608 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.73 114.56 0.7 Allowed Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.733 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 2.6 tmtm? 175.09 -177.55 0.1 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.361 -1.082 . . . . 0.0 109.223 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.733 ' H ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -123.03 147.79 46.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.112 -0.993 . . . . 0.0 109.774 -179.693 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.731 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 57.7 m-85 -159.36 131.82 6.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.321 -0.862 . . . . 0.0 109.323 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.55 14.22 32.5 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.245 -0.909 . . . . 0.0 108.615 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mt -131.08 97.34 4.27 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -46.08 -40.98 11.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.282 -0.886 . . . . 0.0 109.526 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -63.55 -45.13 91.91 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.209 -0.932 . . . . 0.0 109.26 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.638 ' NE2' ' N ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -58.09 -54.47 46.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.129 -0.982 . . . . 0.0 108.992 179.633 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.642 ' SD ' ' O ' ' A' ' 5' ' ' SER . 57.1 ttp -61.08 -48.91 79.53 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.307 -0.871 . . . . 0.0 108.743 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.3 -37.35 64.7 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -72.5 -22.94 60.97 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.666 ' CD2' ' SG ' ' A' ' 6' ' ' CYS . 11.6 t60 -77.3 -30.9 54.41 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.724 ' C ' ' H ' ' A' ' 25' ' ' VAL . 3.7 m-85 -58.74 -41.38 86.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.344 -0.848 . . . . 0.0 109.293 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.48 ' HG3' HH11 ' A' ' 24' ' ' ARG . 3.4 mtm-85 -48.35 -5.88 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.098 -1.001 . . . . 0.0 108.37 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.724 ' H ' ' C ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -95.17 2.54 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 179.63 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' A' ' 23' ' ' TYR . 8.9 m-70 . . . . . 0 N--CA 1.488 1.449 0 O-C-N 121.542 -0.724 . . . . 0.0 109.208 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.301 0.572 . . . . 0.0 109.561 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.666 ' O ' ' SD ' ' A' ' 19' ' ' MET . 4.2 m -152.35 156.05 38.82 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.277 -0.889 . . . . 0.0 109.494 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.765 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 1.9 t -72.26 139.61 48.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 0.0 109.63 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.494 ' H ' ' HH ' ' A' ' 23' ' ' TYR . 1.2 m -106.14 32.54 4.35 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.355 -0.841 . . . . 0.0 109.298 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.71 -37.13 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.2 -0.938 . . . . 0.0 108.995 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.765 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 3.7 p -107.8 -31.65 7.95 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.581 -0.699 . . . . 0.0 109.225 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.57 80.51 1.45 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.527 ' CD ' ' SG ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -147.61 -175.0 4.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -1.152 . . . . 0.0 109.069 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.642 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.32 146.9 51.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.969 -1.082 . . . . 0.0 110.562 -179.213 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 12' ' ' ARG . 5.0 m-85 -159.95 148.41 17.21 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.43 -0.794 . . . . 0.0 109.162 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.8 t -103.05 7.65 38.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.27 -0.894 . . . . 0.0 109.108 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 mp -120.87 99.52 6.56 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.426 -0.796 . . . . 0.0 109.064 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -45.98 -46.34 16.32 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.256 -0.903 . . . . 0.0 109.3 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -59.36 -44.51 92.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.149 -0.969 . . . . 0.0 108.985 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.594 ' NE2' ' N ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -55.38 -54.3 45.47 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.284 -0.885 . . . . 0.0 109.007 179.497 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.666 ' SD ' ' O ' ' A' ' 5' ' ' SER . 18.1 ttp -59.99 -48.78 80.29 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.277 -0.889 . . . . 0.0 108.694 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.14 -39.0 74.34 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.91 -22.23 65.97 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.456 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 10.7 t60 -76.69 -35.57 57.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.547 -0.721 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.738 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.3 m-85 -51.93 -31.68 29.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.206 -0.934 . . . . 0.0 109.177 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.91 0.48 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.168 -0.957 . . . . 0.0 108.547 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.738 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.1 t -99.53 -18.61 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.462 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 7.0 m-70 . . . . . 0 N--CA 1.488 1.449 0 O-C-N 121.484 -0.76 . . . . 0.0 109.598 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.253 0.549 . . . . 0.0 109.595 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.18 158.85 19.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.299 -0.876 . . . . 0.0 109.388 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.766 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -64.58 160.69 19.06 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.198 -0.939 . . . . 0.0 109.372 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.2 m -129.81 11.73 5.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.262 -0.899 . . . . 0.0 109.6 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.5 t -136.54 -31.85 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.0 109.045 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.766 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -113.49 -11.77 13.03 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.492 -0.755 . . . . 0.0 109.449 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.34 120.25 0.15 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.748 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 4.4 tmtt? 175.56 -175.92 0.1 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.264 -1.139 . . . . 0.0 109.404 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.748 ' H ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -124.68 152.83 43.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.163 -0.96 . . . . 0.0 109.828 -179.781 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.714 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 67.3 m-85 -162.99 133.9 4.77 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 0.0 109.092 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.6 m -91.23 1.56 57.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.208 -0.933 . . . . 0.0 109.379 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mp -129.52 95.11 3.92 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.331 -0.856 . . . . 0.0 109.187 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 5.6 ptmt -46.34 -43.0 15.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.336 -0.852 . . . . 0.0 109.461 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.465 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 39.1 m-70 -58.55 -45.22 89.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.111 -0.993 . . . . 0.0 109.02 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.699 ' NE2' ' N ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -57.65 -52.09 66.87 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.36 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.699 ' N ' ' NE2' ' A' ' 18' ' ' GLN . 9.1 tmm? -59.69 -48.5 81.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.457 -0.777 . . . . 0.0 108.921 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.33 -37.06 61.96 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -71.23 -22.05 62.05 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.751 ' NE2' ' SG ' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -77.12 -30.51 55.25 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.767 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -50.58 -35.24 29.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.328 -0.858 . . . . 0.0 109.313 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -49.94 -1.75 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.118 -0.989 . . . . 0.0 108.556 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.767 ' H ' ' C ' ' A' ' 23' ' ' TYR . 8.1 t -98.19 6.64 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.577 ' CD2' ' CD1' ' A' ' 23' ' ' TYR . 5.3 m-70 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.475 -0.766 . . . . 0.0 109.601 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.645 ' O ' ' SD ' ' A' ' 19' ' ' MET . 13.4 t -152.94 167.78 28.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.943 . . . . 0.0 109.668 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -66.29 -23.29 66.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.324 -0.86 . . . . 0.0 109.519 -179.84 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.485 ' H ' ' HG ' ' A' ' 5' ' ' SER . 0.8 OUTLIER 50.16 15.27 0.18 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.288 -0.882 . . . . 0.0 109.78 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.489 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -144.0 -40.4 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.165 -0.96 . . . . 0.0 108.58 179.742 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -104.65 -39.48 6.34 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.23 52.06 0.5 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.861 -1.295 . . . . 0.0 109.861 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -125.9 -178.91 4.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.163 -1.198 . . . . 0.0 109.199 179.555 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.683 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -124.21 146.47 48.69 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.113 -0.992 . . . . 0.0 109.971 -179.677 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 42.8 m-85 -156.81 132.24 9.28 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.385 -0.822 . . . . 0.0 109.566 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -92.74 2.4 56.76 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.315 -0.866 . . . . 0.0 108.834 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -117.35 98.47 6.44 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.432 -0.793 . . . . 0.0 109.16 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -30.64 2.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.303 -0.873 . . . . 0.0 109.409 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -71.44 -45.38 62.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.211 -0.931 . . . . 0.0 109.038 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.817 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -57.29 -47.25 81.95 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.134 -0.979 . . . . 0.0 108.765 179.473 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.817 ' N ' HE21 ' A' ' 18' ' ' GLN . 4.0 ttp -65.7 -48.99 70.15 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.32 -37.32 77.5 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -69.99 -22.07 63.17 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.641 ' CD2' ' SG ' ' A' ' 6' ' ' CYS . 6.0 t60 -76.76 -33.19 58.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.592 -0.692 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.748 ' C ' ' H ' ' A' ' 25' ' ' VAL . 3.9 m-85 -52.04 -33.25 37.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.295 -0.878 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.34 1.0 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.177 -0.952 . . . . 0.0 108.637 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.748 ' H ' ' C ' ' A' ' 23' ' ' TYR . 3.0 t -99.17 -14.72 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.49 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 8.7 m-70 . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.484 -0.76 . . . . 0.0 109.549 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 2' ' ' ARG . 18.1 mtt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.468 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -42.84 -53.59 9.82 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 0.0 109.559 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 2' ' ' ARG . 66.4 Cg_endo -79.69 159.96 24.93 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.767 2.311 . . . . 0.0 112.265 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.676 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -65.13 -165.37 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.213 -0.93 . . . . 0.0 109.411 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.541 ' HG ' ' C ' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -157.51 152.98 26.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.127 -0.983 . . . . 0.0 109.647 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.662 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -53.9 -14.08 0.91 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.409 -0.807 . . . . 0.0 109.595 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.3 m 46.03 8.27 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.15 -0.968 . . . . 0.0 109.175 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.662 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -143.06 -53.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.358 -0.839 . . . . 0.0 109.122 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.474 ' N ' HG11 ' A' ' 8' ' ' VAL . 93.5 m -84.76 -40.08 17.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.403 -0.811 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.17 29.36 3.27 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -102.03 -175.19 2.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.22 -1.164 . . . . 0.0 109.443 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.633 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -126.25 149.77 48.86 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.309 -0.87 . . . . 0.0 109.77 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.676 ' O ' ' N ' ' A' ' 4' ' ' TYR . 31.5 m-85 -160.08 136.47 8.86 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.91 . . . . 0.0 109.505 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.2 6.73 47.94 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 108.986 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mp -121.38 98.78 6.13 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.345 -0.847 . . . . 0.0 109.059 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -46.17 -45.34 16.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.294 -0.878 . . . . 0.0 109.421 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' THR . 4.3 m-70 -60.79 -44.2 97.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.104 -0.998 . . . . 0.0 109.084 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.797 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -56.94 -54.12 50.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.261 -0.899 . . . . 0.0 108.793 179.585 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.797 ' N ' HE21 ' A' ' 18' ' ' GLN . 11.0 tmm? -60.21 -48.88 79.86 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.37 -36.07 72.94 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' HIS . 1.2 m -69.76 -22.11 63.38 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.456 ' CD2' ' C ' ' A' ' 22' ' ' HIS . 5.0 t60 -76.93 -34.42 57.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.556 -0.715 . . . . 0.0 109.43 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.748 ' C ' ' H ' ' A' ' 25' ' ' VAL . 3.3 m-85 -51.77 -30.1 21.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.229 -0.92 . . . . 0.0 109.173 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -50.92 -0.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.124 -0.985 . . . . 0.0 108.389 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.748 ' H ' ' C ' ' A' ' 23' ' ' TYR . 1.7 t -99.36 -19.44 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.474 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 7.6 m-70 -84.18 15.17 3.67 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.446 -0.784 . . . . 0.0 109.589 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.5 p -80.16 -152.29 0.08 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.253 -0.904 . . . . 0.0 109.48 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.984 -1.453 . . . . 0.0 109.555 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.516 ' O ' ' C ' ' A' ' 2' ' ' ARG . 1.6 tpp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.516 ' C ' ' O ' ' A' ' 1' ' ' MET . 20.6 tpt180 -37.52 102.83 0.25 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 109.378 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 1' ' ' MET . 61.1 Cg_endo -79.46 173.93 12.52 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.674 2.25 . . . . 0.0 112.361 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -84.15 179.31 7.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.265 -0.897 . . . . 0.0 109.405 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.72 151.29 12.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.243 -0.911 . . . . 0.0 109.601 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.487 ' C ' ' H ' ' A' ' 8' ' ' VAL . 48.2 t -78.3 109.52 12.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.3 -0.875 . . . . 0.0 109.545 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.04 5.31 0.7 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.265 -0.897 . . . . 0.0 109.426 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.487 ' H ' ' C ' ' A' ' 6' ' ' CYS . 1.7 t -116.56 -67.76 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.219 -0.926 . . . . 0.0 109.429 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.481 ' N ' HG11 ' A' ' 8' ' ' VAL . 35.9 m -65.82 -44.82 84.48 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.389 -0.819 . . . . 0.0 109.433 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.57 53.92 0.96 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -126.8 -175.33 3.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.318 -1.107 . . . . 0.0 109.383 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.676 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -123.81 145.77 48.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.236 -0.915 . . . . 0.0 109.779 -179.702 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.676 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 38.6 m-85 -158.17 141.31 15.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.295 -0.878 . . . . 0.0 109.435 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.4 m -102.48 12.13 36.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.231 -0.918 . . . . 0.0 109.23 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 16' ' ' LYS . 3.5 mm? -121.99 100.1 6.8 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.372 -0.83 . . . . 0.0 109.136 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . 36.1 mttm -45.98 -50.74 14.51 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.221 -0.925 . . . . 0.0 109.412 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -56.99 -44.94 83.23 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.143 -0.973 . . . . 0.0 109.201 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.542 ' NE2' ' N ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -57.25 -54.27 48.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.136 -0.978 . . . . 0.0 108.95 179.615 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.542 ' N ' ' NE2' ' A' ' 18' ' ' GLN . 1.8 ttp -58.06 -48.93 78.64 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.164 -0.96 . . . . 0.0 108.42 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.85 -37.48 79.39 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 17' ' ' HIS . 1.1 m -72.08 -21.76 61.45 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.493 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 10.0 t60 -75.99 -31.09 58.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.671 -0.643 . . . . 0.0 109.295 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.755 ' C ' ' H ' ' A' ' 25' ' ' VAL . 1.6 m-85 -59.67 -32.42 70.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.913 . . . . 0.0 109.172 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -52.93 2.59 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.253 -0.904 . . . . 0.0 108.875 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.755 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.1 t -99.42 -13.03 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.43 -0.794 . . . . 0.0 108.937 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.475 ' C ' ' H ' ' A' ' 28' ' ' GLY . 2.1 m-70 -84.31 8.39 16.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.544 -0.722 . . . . 0.0 109.438 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.1 t -76.76 31.38 0.13 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.249 -0.907 . . . . 0.0 109.5 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 26' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.4 mtm180 -117.58 87.82 27.23 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.306 -0.871 . . . . 0.0 109.389 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -78.49 167.56 22.61 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.844 2.363 . . . . 0.0 112.342 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.566 ' N ' ' O ' ' A' ' 13' ' ' PHE . 1.1 t80 -102.2 -170.73 1.86 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.263 -0.898 . . . . 0.0 109.489 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.6 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.1 OUTLIER -164.11 156.5 17.13 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.254 -0.904 . . . . 0.0 109.583 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.488 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -73.36 131.62 42.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 0.0 109.3 179.804 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.56 13.62 29.75 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.263 -0.898 . . . . 0.0 109.703 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.476 ' HB ' ' NE2' ' A' ' 26' ' ' HIS . 5.2 t -128.57 -21.37 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.145 -0.972 . . . . 0.0 109.326 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.488 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 20.1 p -128.2 -13.23 5.06 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.32 -0.863 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.01 116.98 0.38 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.687 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 3.3 tmtp? 174.9 179.18 0.13 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -1.119 . . . . 0.0 109.475 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.696 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -127.57 151.02 49.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.187 -0.946 . . . . 0.0 109.829 -179.683 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.696 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 64.3 m-85 -160.22 155.46 24.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.399 -0.813 . . . . 0.0 109.333 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.8 t -109.37 11.39 25.18 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.277 -0.889 . . . . 0.0 108.965 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -134.9 95.45 3.33 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.502 -0.749 . . . . 0.0 109.04 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.98 -31.63 2.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -0.891 . . . . 0.0 109.307 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -67.13 -44.23 80.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.018 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.758 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -56.35 -54.16 48.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.262 -0.899 . . . . 0.0 109.018 179.613 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.758 ' N ' HE21 ' A' ' 18' ' ' GLN . 6.4 ttp -59.44 -49.04 79.32 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 108.839 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.58 -38.41 66.68 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -71.92 -21.93 61.55 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.531 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 2.5 t60 -76.85 -31.11 56.62 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.252 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.742 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.3 m-85 -51.73 -31.77 27.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.271 -0.893 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -0.21 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.131 -0.981 . . . . 0.0 108.494 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.742 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.3 t -98.45 -14.32 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.507 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 9.1 m-70 -86.84 -2.88 58.92 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.493 -0.754 . . . . 0.0 109.488 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' HIS . 81.9 p 42.38 89.98 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.307 -0.871 . . . . 0.0 109.506 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 117.94 -1.478 . . . . 0.0 109.481 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.289 0.566 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -123.24 152.37 63.81 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.181 -0.949 . . . . 0.0 109.492 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -42.46 162.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.923 2.415 . . . . 0.0 112.314 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.39 -162.23 0.89 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.228 -0.92 . . . . 0.0 109.253 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.8 m -161.95 167.72 24.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.222 -0.924 . . . . 0.0 109.575 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.694 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -55.39 -13.38 1.41 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.307 -0.871 . . . . 0.0 109.653 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.459 ' HG ' ' HE3' ' A' ' 19' ' ' MET . 0.6 OUTLIER 44.26 10.85 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.097 -1.002 . . . . 0.0 109.038 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.694 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -144.59 -56.0 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.413 -0.804 . . . . 0.0 109.116 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.462 ' N ' HG13 ' A' ' 8' ' ' VAL . 88.0 m -82.67 -48.35 11.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.382 -0.824 . . . . 0.0 109.392 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.79 39.43 0.53 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -114.19 179.5 3.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.249 -1.148 . . . . 0.0 109.342 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.716 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -115.15 149.48 37.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.205 -0.934 . . . . 0.0 109.536 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.716 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 62.5 m-85 -158.55 132.37 7.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 109.513 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.2 t -96.27 8.35 44.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.294 -0.879 . . . . 0.0 109.231 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.9 95.51 3.84 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.37 -0.831 . . . . 0.0 109.17 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 17' ' ' HIS . 64.3 pttt -46.42 -40.24 11.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.28 -0.887 . . . . 0.0 109.468 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.442 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 17.7 t-160 -60.67 -45.26 94.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.114 -0.991 . . . . 0.0 109.131 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.565 ' NE2' ' N ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -59.23 -53.73 54.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.288 -0.883 . . . . 0.0 108.847 179.483 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.589 ' SD ' ' CE1' ' A' ' 23' ' ' TYR . 15.8 tmm? -61.32 -48.16 82.62 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.363 -0.835 . . . . 0.0 108.773 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -53.42 -36.12 61.16 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.55 -21.95 61.08 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.604 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 1.1 t60 -76.46 -30.53 57.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.563 -0.711 . . . . 0.0 109.193 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.725 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.0 m-85 -51.1 -30.67 16.75 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.33 -0.857 . . . . 0.0 109.344 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -50.75 -1.73 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.072 -1.017 . . . . 0.0 108.295 179.265 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.725 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -97.51 0.37 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.573 ' O ' ' O ' ' A' ' 27' ' ' THR . 5.6 m-70 -106.86 6.24 29.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.453 -0.779 . . . . 0.0 109.54 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.573 ' O ' ' O ' ' A' ' 26' ' ' HIS . 47.2 p -36.99 161.32 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.211 -0.931 . . . . 0.0 109.496 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 CA-C-O 118.015 -1.436 . . . . 0.0 109.556 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 mtm . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.51 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 18.5 ttm180 -162.55 51.54 0.32 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.183 -0.948 . . . . 0.0 109.536 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 2' ' ' ARG . 43.3 Cg_endo -71.85 -175.58 1.71 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.806 2.337 . . . . 0.0 112.117 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.457 ' CE1' ' HE2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -115.76 178.3 4.36 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.178 -0.951 . . . . 0.0 109.6 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -163.73 155.31 16.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.278 -0.889 . . . . 0.0 109.502 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.449 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -65.54 136.52 56.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.213 -0.929 . . . . 0.0 109.361 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.2 30.94 5.5 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -0.908 . . . . 0.0 109.674 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 t -149.59 -34.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.206 -0.934 . . . . 0.0 109.177 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.449 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 8.0 p -113.92 -13.13 12.57 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.427 -0.795 . . . . 0.0 109.408 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.29 118.02 0.35 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.687 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 174.54 176.44 0.15 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.22 -1.165 . . . . 0.0 109.529 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.728 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -122.24 148.16 45.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 0.0 109.71 -179.714 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.728 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 58.3 m-85 -158.75 132.9 7.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.273 -0.892 . . . . 0.0 109.416 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 t -95.27 5.38 51.89 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.238 -0.914 . . . . 0.0 108.963 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mt -127.93 95.77 4.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.507 -0.745 . . . . 0.0 109.141 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' HE2' ' CE1' ' A' ' 4' ' ' TYR . 37.5 mttt -46.76 -51.68 15.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 0.0 109.598 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.0 -45.15 61.1 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.07 -1.019 . . . . 0.0 109.282 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.756 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -58.31 -54.42 47.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.239 -0.913 . . . . 0.0 109.229 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.756 ' N ' HE21 ' A' ' 18' ' ' GLN . 20.9 ttp -62.74 -46.34 88.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.315 -0.866 . . . . 0.0 108.988 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.07 -35.48 59.6 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.85 -22.4 60.79 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.462 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 3.7 t60 -77.22 -31.32 55.13 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.42 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.742 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -51.88 -34.43 41.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.194 -0.941 . . . . 0.0 109.338 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -51.21 0.29 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.211 -0.931 . . . . 0.0 108.688 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.742 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.6 t -97.85 0.15 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.459 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 7.3 m-70 -100.21 34.22 2.42 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.511 -0.743 . . . . 0.0 109.417 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.464 HG21 ' H ' ' A' ' 28' ' ' GLY . 8.7 t -49.57 -40.39 38.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 0.0 109.577 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.464 ' H ' HG21 ' A' ' 27' ' ' THR . . . . . . . . 0 N--CA 1.49 2.293 0 CA-C-O 117.993 -1.448 . . . . 0.0 109.532 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 mmt . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.251 0.548 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.531 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -94.58 -49.31 0.26 Allowed Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.339 -0.851 . . . . 0.0 109.776 -179.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' ' 2' ' ' ARG . 59.2 Cg_endo -78.21 165.18 26.09 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.706 2.271 . . . . 0.0 112.357 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -108.64 -175.35 2.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.366 -0.834 . . . . 0.0 109.374 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.545 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -162.99 163.92 25.89 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.165 -0.959 . . . . 0.0 109.543 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.564 ' SG ' ' N ' ' A' ' 7' ' ' SER . 31.9 t -78.01 165.6 23.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.91 . . . . 0.0 109.544 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.564 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -123.19 24.79 8.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.264 -0.897 . . . . 0.0 109.411 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -144.16 -38.06 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 0.0 109.115 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.533 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 7.6 p -99.59 -32.79 10.91 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.422 -0.799 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.25 82.3 1.31 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -151.71 179.72 8.16 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.337 -1.096 . . . . 0.0 109.309 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.694 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -121.34 145.14 48.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.243 -0.911 . . . . 0.0 109.79 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.694 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 49.5 m-85 -156.43 132.74 9.97 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.275 -0.89 . . . . 0.0 109.484 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.13 -0.83 57.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.874 . . . . 0.0 109.308 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.65 97.33 5.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 0.0 109.08 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -46.43 -40.55 12.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.292 -0.88 . . . . 0.0 109.547 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -59.4 -45.17 92.26 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.211 -0.93 . . . . 0.0 109.242 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.787 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -57.6 -54.13 50.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.157 -0.965 . . . . 0.0 108.982 179.576 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.787 ' N ' HE21 ' A' ' 18' ' ' GLN . 3.3 ttp -61.19 -49.19 78.16 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.379 -0.825 . . . . 0.0 108.881 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.66 -36.93 62.65 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -72.43 -22.05 61.16 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.454 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 4.1 t60 -77.02 -32.15 56.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.567 -0.708 . . . . 0.0 109.233 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.732 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -51.88 -36.81 49.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.27 -0.894 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -47.59 -5.29 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.197 -0.939 . . . . 0.0 108.658 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.732 ' H ' ' C ' ' A' ' 23' ' ' TYR . 5.6 t -96.1 7.26 7.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.516 ' N ' ' O ' ' A' ' 23' ' ' TYR . 5.5 m-70 -105.2 -59.76 1.71 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.481 -0.762 . . . . 0.0 109.535 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.0 t -96.46 24.42 5.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.253 -0.904 . . . . 0.0 109.574 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 118.054 -1.414 . . . . 0.0 109.596 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 2' ' ' ARG . 48.0 mtt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 1' ' ' MET . 32.1 mtt-85 45.38 65.41 6.5 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.297 -0.877 . . . . 0.0 109.616 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -73.09 175.22 10.79 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.853 2.369 . . . . 0.0 112.317 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.568 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -137.79 -171.25 2.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.29 -0.881 . . . . 0.0 109.481 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.643 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.5 OUTLIER -164.19 152.41 12.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.291 -0.881 . . . . 0.0 109.414 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.425 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -60.51 149.69 33.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.919 . . . . 0.0 109.488 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.405 ' CB ' ' OH ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -117.65 11.63 13.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.22 -0.925 . . . . 0.0 109.567 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 t -131.72 -26.21 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.888 . . . . 0.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.0 p -122.89 -16.33 7.12 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.304 -0.872 . . . . 0.0 109.392 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.94 119.76 0.64 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.7 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 175.44 -179.04 0.13 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.233 -1.157 . . . . 0.0 109.487 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.733 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -117.71 145.68 44.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.226 -0.921 . . . . 0.0 109.843 -179.644 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.733 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 52.8 m-85 -158.53 134.52 9.08 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 0.0 109.295 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.23 14.58 31.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.103 -0.998 . . . . 0.0 109.201 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.0 94.58 2.83 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.416 -0.802 . . . . 0.0 109.187 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HE2' ' CZ ' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -46.16 -45.9 16.97 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.25 -0.906 . . . . 0.0 109.38 -179.727 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.602 ' H ' ' CD2' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -56.1 -45.3 79.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 108.826 179.49 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.742 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -60.5 -50.9 71.7 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.224 -0.922 . . . . 0.0 108.672 179.338 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.742 ' N ' HE21 ' A' ' 18' ' ' GLN . 32.0 ttp -62.28 -48.78 78.39 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -37.17 65.6 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -21.88 61.28 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.511 ' CD2' ' C ' ' A' ' 22' ' ' HIS . 1.8 t60 -76.62 -30.98 57.14 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.586 -0.696 . . . . 0.0 109.264 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.757 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.6 m-85 -51.52 -31.25 23.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.285 -0.885 . . . . 0.0 109.195 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.54 1.53 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.123 -0.985 . . . . 0.0 108.609 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.757 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -98.75 -15.65 7.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.67 ' O ' ' N ' ' A' ' 28' ' ' GLY . 8.8 m-70 -85.0 -3.0 58.62 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.483 -0.761 . . . . 0.0 109.243 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 26' ' ' HIS . 9.0 t -38.32 -20.97 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.381 -0.824 . . . . 0.0 109.635 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.67 ' N ' ' O ' ' A' ' 26' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 118.01 -1.439 . . . . 0.0 109.536 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.574 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -85.31 -47.75 0.61 Allowed Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.305 -0.872 . . . . 0.0 109.775 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 2' ' ' ARG . 57.3 Cg_endo -76.66 171.58 17.76 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.614 2.21 . . . . 0.0 112.255 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -114.27 -166.14 1.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.696 -179.813 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.7 m -162.73 154.69 18.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.363 -0.836 . . . . 0.0 109.423 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.413 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -60.71 150.95 30.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.148 -0.97 . . . . 0.0 109.242 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -116.53 21.05 13.78 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.233 -0.917 . . . . 0.0 109.687 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.96 -34.45 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.209 -0.932 . . . . 0.0 109.261 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.413 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 9.6 p -110.43 -12.87 14.35 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.44 -0.787 . . . . 0.0 109.47 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.44 113.54 0.13 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.707 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -179.16 -179.64 0.58 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.182 -1.187 . . . . 0.0 109.426 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.721 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -117.36 151.68 36.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.151 -0.968 . . . . 0.0 109.753 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.721 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 61.9 m-85 -161.95 131.9 4.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.369 -0.832 . . . . 0.0 109.319 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 m -99.22 9.94 42.42 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.188 -0.945 . . . . 0.0 108.909 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.9 mt -128.91 96.87 4.47 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.532 -0.73 . . . . 0.0 109.074 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -46.19 -41.76 13.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.221 -0.925 . . . . 0.0 109.523 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -45.31 93.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.098 -1.001 . . . . 0.0 109.091 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.745 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -57.29 -49.35 76.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.916 . . . . 0.0 108.997 179.641 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.745 ' N ' HE21 ' A' ' 18' ' ' GLN . 3.5 tmm? -65.62 -49.15 69.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.294 -0.879 . . . . 0.0 108.817 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.39 -39.76 76.75 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -72.18 -21.94 61.36 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.469 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 6.9 t60 -76.4 -30.78 57.61 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.664 -0.648 . . . . 0.0 109.492 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.686 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -51.4 -35.91 41.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.081 -1.012 . . . . 0.0 109.296 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.68 -2.98 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 108.408 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.686 ' H ' ' C ' ' A' ' 23' ' ' TYR . 9.1 t -95.76 4.72 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.48 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 7.5 m-70 -102.66 16.75 25.55 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.547 -0.72 . . . . 0.0 109.492 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.02 -168.52 1.77 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.287 -0.883 . . . . 0.0 109.467 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 117.983 -1.454 . . . . 0.0 109.543 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpp? . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -75.74 139.22 70.15 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.177 -0.952 . . . . 0.0 109.364 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -72.69 158.93 49.73 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.576 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -82.14 173.08 12.47 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.253 -0.905 . . . . 0.0 109.391 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.44 156.16 40.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.274 -0.891 . . . . 0.0 109.47 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.49 ' HB3' ' H ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -57.5 -21.15 35.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.212 -0.93 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.459 ' O ' ' OG ' ' A' ' 7' ' ' SER . 2.6 t 48.08 16.39 0.09 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.304 -0.873 . . . . 0.0 109.837 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.496 HG13 ' CD2' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -146.68 -38.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.119 -0.988 . . . . 0.0 108.726 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.49 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -107.72 -36.1 6.51 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.38 64.54 0.55 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.94 179.91 6.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.296 -1.12 . . . . 0.0 109.207 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.671 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -119.09 146.63 44.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.183 -0.948 . . . . 0.0 109.697 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 55.4 m-85 -155.05 131.96 10.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.292 -0.88 . . . . 0.0 109.685 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.5 t -96.21 5.86 50.08 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.152 -0.968 . . . . 0.0 108.738 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mp -127.16 97.33 4.89 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.92 -45.67 15.57 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.235 -0.915 . . . . 0.0 109.297 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 4.3 t60 -55.22 -45.11 75.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 0.0 108.969 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.628 ' NE2' ' N ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -57.8 -54.15 50.17 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.2 -0.937 . . . . 0.0 108.892 179.63 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.628 ' N ' ' NE2' ' A' ' 18' ' ' GLN . 7.8 tmm? -60.47 -48.95 79.53 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.271 -0.893 . . . . 0.0 108.748 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.14 -39.1 77.91 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 17' ' ' HIS . 1.1 m -71.03 -22.37 62.15 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 3.4 t60 -76.96 -31.69 56.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.523 -0.735 . . . . 0.0 109.132 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.759 ' C ' ' H ' ' A' ' 25' ' ' VAL . 1.7 m-85 -51.83 -32.53 32.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.253 -0.904 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -51.87 0.7 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 108.627 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.759 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -98.65 -16.83 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.496 ' CD2' HG13 ' A' ' 8' ' ' VAL . 8.9 m-70 -83.09 -51.78 7.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.548 -0.72 . . . . 0.0 109.531 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.46 ' OG1' ' C ' ' A' ' 26' ' ' HIS . 0.3 OUTLIER 71.65 -73.1 0.1 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.341 -0.849 . . . . 0.0 109.531 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 53.25 80.14 0.31 Allowed Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.243 -0.91 . . . . 0.0 109.401 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.83 159.24 0.62 Allowed 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.797 2.331 . . . . 0.0 112.27 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -126.78 174.12 9.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.172 -0.955 . . . . 0.0 109.54 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.564 ' OG ' ' O ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -164.05 166.11 21.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.272 -0.892 . . . . 0.0 109.321 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.472 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -75.52 121.02 21.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.213 -0.93 . . . . 0.0 109.307 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 t -95.62 25.54 4.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.261 -0.899 . . . . 0.0 109.663 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 t -140.63 -30.41 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.18 -0.95 . . . . 0.0 109.322 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.472 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 7.6 p -121.68 -1.63 9.47 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.358 -0.839 . . . . 0.0 109.45 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.3 117.78 0.03 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.7 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 176.45 172.22 0.42 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.303 -1.116 . . . . 0.0 109.564 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.732 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -110.34 150.22 29.09 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.196 -0.94 . . . . 0.0 109.677 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.732 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 44.8 m-85 -163.12 131.93 3.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.365 -0.834 . . . . 0.0 109.28 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.8 t -103.3 14.81 30.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.254 -0.904 . . . . 0.0 108.671 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 mt -134.74 96.53 3.57 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -46.11 -43.44 14.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.885 . . . . 0.0 109.537 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -58.8 -45.18 90.49 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.154 -0.966 . . . . 0.0 109.236 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.642 ' NE2' ' C ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -59.38 -54.34 47.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.243 -0.91 . . . . 0.0 108.877 179.645 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.565 ' N ' HE21 ' A' ' 18' ' ' GLN . 10.5 tmm? -58.01 -48.83 78.87 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -38.38 74.49 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.04 -22.16 62.17 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.624 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -76.36 -30.51 57.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.623 -0.673 . . . . 0.0 109.444 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.694 ' C ' ' H ' ' A' ' 25' ' ' VAL . 1.2 m-85 -50.9 -29.43 12.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.223 -0.923 . . . . 0.0 109.216 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -53.07 -1.42 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.694 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -98.61 -2.64 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.489 ' O ' ' C ' ' A' ' 27' ' ' THR . 7.8 m-70 -98.46 -3.76 35.97 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.417 -0.802 . . . . 0.0 109.36 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.489 ' C ' ' O ' ' A' ' 26' ' ' HIS . 2.6 m -39.31 -55.47 1.71 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.307 -0.871 . . . . 0.0 109.504 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 mtt . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.323 0.582 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -113.86 155.05 45.74 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.244 -0.91 . . . . 0.0 109.45 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.94 -172.98 0.54 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.836 2.357 . . . . 0.0 112.161 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.78 -178.49 4.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 109.722 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.685 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -151.26 164.07 37.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.273 -0.892 . . . . 0.0 109.369 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 7' ' ' SER . 8.2 t -72.32 162.0 30.06 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.293 -0.879 . . . . 0.0 109.671 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.59 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 2.1 m -126.75 25.9 6.31 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.391 -0.818 . . . . 0.0 109.51 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.7 -36.2 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.217 -0.927 . . . . 0.0 108.784 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.582 ' SG ' ' CD ' ' A' ' 11' ' ' LYS . 4.1 p -110.29 -32.02 7.11 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.516 -0.74 . . . . 0.0 109.038 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.41 87.76 1.67 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.582 ' CD ' ' SG ' ' A' ' 9' ' ' CYS . 2.0 mptp? -150.05 -175.9 5.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -1.15 . . . . 0.0 109.229 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.682 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -129.69 148.99 51.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.084 -1.01 . . . . 0.0 109.955 -179.662 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.682 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 30.0 m-85 -161.67 141.51 10.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.376 -0.827 . . . . 0.0 109.312 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.19 1.32 52.17 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.278 -0.889 . . . . 0.0 108.941 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.57 98.23 5.82 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.503 -0.748 . . . . 0.0 109.132 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -45.95 -32.49 2.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.239 -0.913 . . . . 0.0 109.504 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -67.55 -45.32 76.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.132 -0.98 . . . . 0.0 109.226 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.666 ' NE2' ' C ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -57.99 -54.29 48.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.19 -0.944 . . . . 0.0 108.75 179.587 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.685 ' SD ' ' O ' ' A' ' 5' ' ' SER . 32.3 ttp -58.5 -48.9 79.27 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.73 -36.91 67.76 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.82 -21.78 61.65 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.505 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 1.9 t60 -76.24 -30.81 58.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.614 -0.679 . . . . 0.0 109.213 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.716 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.1 m-85 -51.31 -30.91 19.81 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.203 -0.936 . . . . 0.0 109.133 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 1.98 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.716 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.3 t -99.35 -2.92 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.447 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 8.9 m-70 -96.51 -40.7 8.94 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.45 -0.781 . . . . 0.0 109.357 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.89 -158.32 0.33 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.895 . . . . 0.0 109.573 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 CA-C-O 118.016 -1.435 . . . . 0.0 109.545 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.459 ' H2 ' ' HE3' ' A' ' 1' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.269 0.557 . . . . 0.0 109.503 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.26 77.17 36.45 Favored Pre-proline 0 N--CA 1.489 1.482 0 O-C-N 121.314 -0.866 . . . . 0.0 109.426 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -71.3 169.33 21.01 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.726 2.284 . . . . 0.0 112.075 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.51 -174.46 3.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.13 -0.981 . . . . 0.0 109.828 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.642 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -163.69 158.66 20.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.437 -0.789 . . . . 0.0 108.956 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.503 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -68.48 121.31 16.08 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.07 -1.018 . . . . 0.0 109.573 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.414 ' H ' ' HH ' ' A' ' 23' ' ' TYR . 16.6 t -97.76 18.53 15.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.285 -0.885 . . . . 0.0 109.372 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.2 t -133.1 -28.85 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.27 -0.894 . . . . 0.0 109.401 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 28.1 p -122.33 -15.01 7.76 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.207 -0.933 . . . . 0.0 109.608 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.73 114.56 0.7 Allowed Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.733 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 2.6 tmtm? 175.09 -177.55 0.1 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.361 -1.082 . . . . 0.0 109.223 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.733 ' H ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -123.03 147.79 46.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.112 -0.993 . . . . 0.0 109.774 -179.693 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.731 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 57.7 m-85 -159.36 131.82 6.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.321 -0.862 . . . . 0.0 109.323 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.55 14.22 32.5 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.245 -0.909 . . . . 0.0 108.615 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mt -131.08 97.34 4.27 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -46.08 -40.98 11.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.282 -0.886 . . . . 0.0 109.526 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -63.55 -45.13 91.91 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.209 -0.932 . . . . 0.0 109.26 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.638 ' NE2' ' N ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -58.09 -54.47 46.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.129 -0.982 . . . . 0.0 108.992 179.633 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.642 ' SD ' ' O ' ' A' ' 5' ' ' SER . 57.1 ttp -61.08 -48.91 79.53 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.307 -0.871 . . . . 0.0 108.743 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.3 -37.35 64.7 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -72.5 -22.94 60.97 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.413 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 11.6 t60 -77.3 -30.9 54.41 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.724 ' C ' ' H ' ' A' ' 25' ' ' VAL . 3.7 m-85 -58.74 -41.38 86.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.344 -0.848 . . . . 0.0 109.293 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.48 ' HG3' HH11 ' A' ' 24' ' ' ARG . 3.4 mtm-85 -48.35 -5.88 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.098 -1.001 . . . . 0.0 108.37 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.724 ' H ' ' C ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -95.17 2.54 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 179.63 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' A' ' 23' ' ' TYR . 8.9 m-70 -97.67 -38.95 9.31 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.542 -0.724 . . . . 0.0 109.208 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.55 147.03 1.39 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.338 -0.851 . . . . 0.0 109.442 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 CA-C-O 117.962 -1.465 . . . . 0.0 109.623 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mtt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -113.7 152.27 45.35 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.247 -0.908 . . . . 0.0 109.433 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -40.9 161.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.775 2.316 . . . . 0.0 112.204 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.23 -177.53 3.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.246 -0.909 . . . . 0.0 109.561 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.666 ' O ' ' SD ' ' A' ' 19' ' ' MET . 4.2 m -152.35 156.05 38.82 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.277 -0.889 . . . . 0.0 109.494 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.531 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 1.9 t -72.26 139.61 48.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 0.0 109.63 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.494 ' H ' ' HH ' ' A' ' 23' ' ' TYR . 1.2 m -106.14 32.54 4.35 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.355 -0.841 . . . . 0.0 109.298 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.71 -37.13 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.2 -0.938 . . . . 0.0 108.995 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.531 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 3.7 p -107.8 -31.65 7.95 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.581 -0.699 . . . . 0.0 109.225 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.57 80.51 1.45 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.527 ' CD ' ' SG ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -147.61 -175.0 4.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -1.152 . . . . 0.0 109.069 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.642 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.32 146.9 51.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.969 -1.082 . . . . 0.0 110.562 -179.213 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 12' ' ' ARG . 5.0 m-85 -159.95 148.41 17.21 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.43 -0.794 . . . . 0.0 109.162 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.8 t -103.05 7.65 38.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.27 -0.894 . . . . 0.0 109.108 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.3 mp -120.87 99.52 6.56 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.426 -0.796 . . . . 0.0 109.064 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -45.98 -46.34 16.32 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.256 -0.903 . . . . 0.0 109.3 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -59.36 -44.51 92.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.149 -0.969 . . . . 0.0 108.985 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.594 ' NE2' ' N ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -55.38 -54.3 45.47 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.284 -0.885 . . . . 0.0 109.007 179.497 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.666 ' SD ' ' O ' ' A' ' 5' ' ' SER . 18.1 ttp -59.99 -48.78 80.29 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.277 -0.889 . . . . 0.0 108.694 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.14 -39.0 74.34 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.91 -22.23 65.97 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.456 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 10.7 t60 -76.69 -35.57 57.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.547 -0.721 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.738 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.3 m-85 -51.93 -31.68 29.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.206 -0.934 . . . . 0.0 109.177 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.91 0.48 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.168 -0.957 . . . . 0.0 108.547 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.738 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.1 t -99.53 -18.61 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.462 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 7.0 m-70 -81.5 22.77 0.68 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.484 -0.76 . . . . 0.0 109.598 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.418 ' O ' ' OXT' ' A' ' 28' ' ' GLY . 38.7 p -72.89 -114.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 109.503 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.418 ' OXT' ' O ' ' A' ' 27' ' ' THR . . . . . . . . 0 N--CA 1.489 2.21 0 CA-C-O 117.983 -1.454 . . . . 0.0 109.48 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.87 165.28 12.97 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.318 -0.864 . . . . 0.0 109.407 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -41.98 160.58 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.882 2.388 . . . . 0.0 112.297 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -93.61 -177.56 4.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.233 -0.917 . . . . 0.0 109.595 -179.831 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.18 158.85 19.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.299 -0.876 . . . . 0.0 109.388 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 160.69 19.06 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.198 -0.939 . . . . 0.0 109.372 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.2 m -129.81 11.73 5.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.262 -0.899 . . . . 0.0 109.6 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.5 t -136.54 -31.85 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.0 109.045 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.402 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 0.8 OUTLIER -113.49 -11.77 13.03 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.492 -0.755 . . . . 0.0 109.449 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.34 120.25 0.15 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.748 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 4.4 tmtt? 175.56 -175.92 0.1 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.264 -1.139 . . . . 0.0 109.404 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.748 ' H ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -124.68 152.83 43.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.163 -0.96 . . . . 0.0 109.828 -179.781 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.714 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 67.3 m-85 -162.99 133.9 4.77 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 0.0 109.092 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.6 m -91.23 1.56 57.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.208 -0.933 . . . . 0.0 109.379 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.5 mp -129.52 95.11 3.92 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.331 -0.856 . . . . 0.0 109.187 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 5.6 ptmt -46.34 -43.0 15.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.336 -0.852 . . . . 0.0 109.461 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.465 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 39.1 m-70 -58.55 -45.22 89.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.111 -0.993 . . . . 0.0 109.02 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.699 ' NE2' ' N ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -57.65 -52.09 66.87 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.36 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.699 ' N ' ' NE2' ' A' ' 18' ' ' GLN . 9.1 tmm? -59.69 -48.5 81.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.457 -0.777 . . . . 0.0 108.921 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.33 -37.06 61.96 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -71.23 -22.05 62.05 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.435 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -77.12 -30.51 55.25 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.767 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -50.58 -35.24 29.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.328 -0.858 . . . . 0.0 109.313 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -49.94 -1.75 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.118 -0.989 . . . . 0.0 108.556 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.767 ' H ' ' C ' ' A' ' 23' ' ' TYR . 8.1 t -98.19 6.64 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.577 ' CD2' ' CD1' ' A' ' 23' ' ' TYR . 5.3 m-70 -102.09 -17.29 16.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.475 -0.766 . . . . 0.0 109.601 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.517 ' O ' ' C ' ' A' ' 28' ' ' GLY . 47.1 m -126.11 -96.27 0.44 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.196 -0.94 . . . . 0.0 109.413 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 27' ' ' THR . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mtp . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.275 0.56 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.613 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 3.9 ttp180 -92.34 -45.93 0.33 Allowed Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.252 -0.905 . . . . 0.0 109.421 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 2' ' ' ARG . 39.7 Cg_exo -57.17 -179.8 0.11 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.83 2.353 . . . . 0.0 112.071 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.12 -168.77 1.35 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.204 -0.935 . . . . 0.0 109.304 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.645 ' O ' ' SD ' ' A' ' 19' ' ' MET . 13.4 t -152.94 167.78 28.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.943 . . . . 0.0 109.668 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.431 ' HB3' ' H ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -66.29 -23.29 66.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.324 -0.86 . . . . 0.0 109.519 -179.84 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.485 ' H ' ' HG ' ' A' ' 5' ' ' SER . 0.8 OUTLIER 50.16 15.27 0.18 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.288 -0.882 . . . . 0.0 109.78 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.489 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -144.0 -40.4 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.165 -0.96 . . . . 0.0 108.58 179.742 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.475 ' SG ' HG13 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -104.65 -39.48 6.34 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.23 52.06 0.5 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.861 -1.295 . . . . 0.0 109.861 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -125.9 -178.91 4.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.163 -1.198 . . . . 0.0 109.199 179.555 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.683 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -124.21 146.47 48.69 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.113 -0.992 . . . . 0.0 109.971 -179.677 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 42.8 m-85 -156.81 132.24 9.28 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.385 -0.822 . . . . 0.0 109.566 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -92.74 2.4 56.76 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.315 -0.866 . . . . 0.0 108.834 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -117.35 98.47 6.44 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.432 -0.793 . . . . 0.0 109.16 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -30.64 2.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.303 -0.873 . . . . 0.0 109.409 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -71.44 -45.38 62.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.211 -0.931 . . . . 0.0 109.038 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.817 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -57.29 -47.25 81.95 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.134 -0.979 . . . . 0.0 108.765 179.473 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.817 ' N ' HE21 ' A' ' 18' ' ' GLN . 4.0 ttp -65.7 -48.99 70.15 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.32 -37.32 77.5 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -69.99 -22.07 63.17 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.459 ' CD2' ' C ' ' A' ' 22' ' ' HIS . 6.0 t60 -76.76 -33.19 58.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.592 -0.692 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.748 ' C ' ' H ' ' A' ' 25' ' ' VAL . 3.9 m-85 -52.04 -33.25 37.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.295 -0.878 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.34 1.0 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.177 -0.952 . . . . 0.0 108.637 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.748 ' H ' ' C ' ' A' ' 23' ' ' TYR . 3.0 t -99.17 -14.72 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.49 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 8.7 m-70 -85.26 -0.31 54.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.484 -0.76 . . . . 0.0 109.549 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.517 ' H ' ' HG1' ' A' ' 27' ' ' THR . 0.6 OUTLIER -46.32 155.27 0.22 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.226 -0.921 . . . . 0.0 109.518 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 CA-C-O 117.992 -1.449 . . . . 0.0 109.546 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.676 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.51 152.98 26.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.127 -0.983 . . . . 0.0 109.647 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.662 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -53.9 -14.08 0.91 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.409 -0.807 . . . . 0.0 109.595 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.3 m 46.03 8.27 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.15 -0.968 . . . . 0.0 109.175 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.662 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -143.06 -53.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.358 -0.839 . . . . 0.0 109.122 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.598 ' N ' HG12 ' A' ' 8' ' ' VAL . 93.5 m -84.76 -40.08 17.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.403 -0.811 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.17 29.36 3.27 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -102.03 -175.19 2.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.22 -1.164 . . . . 0.0 109.443 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.633 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -126.25 149.77 48.86 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.309 -0.87 . . . . 0.0 109.77 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.676 ' O ' ' N ' ' A' ' 4' ' ' TYR . 31.5 m-85 -160.08 136.47 8.86 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.91 . . . . 0.0 109.505 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.2 6.73 47.94 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 108.986 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mp -121.38 98.78 6.13 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.345 -0.847 . . . . 0.0 109.059 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -46.17 -45.34 16.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.294 -0.878 . . . . 0.0 109.421 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' THR . 4.3 m-70 -60.79 -44.2 97.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.104 -0.998 . . . . 0.0 109.084 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.506 ' OE1' ' N ' ' A' ' 19' ' ' MET . 5.9 tm0? -56.94 -54.12 50.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.261 -0.899 . . . . 0.0 108.793 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.585 ' SD ' ' CE1' ' A' ' 23' ' ' TYR . 11.0 tmm? -60.21 -48.88 79.86 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.37 -36.07 72.94 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' HIS . 1.2 m -69.76 -22.11 63.38 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.527 ' CD2' ' SG ' ' A' ' 6' ' ' CYS . 5.0 t60 -76.93 -34.42 57.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.556 -0.715 . . . . 0.0 109.43 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.734 ' C ' ' H ' ' A' ' 25' ' ' VAL . 3.3 m-85 -51.77 -30.1 21.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.229 -0.92 . . . . 0.0 109.173 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -50.92 -0.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.124 -0.985 . . . . 0.0 108.389 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.734 ' H ' ' C ' ' A' ' 23' ' ' TYR . 1.7 t -99.36 -19.44 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.6 ' CE1' HG11 ' A' ' 8' ' ' VAL . 12.6 m170 . . . . . 0 N--CA 1.488 1.435 0 O-C-N 121.446 -0.784 . . . . 0.0 109.589 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.72 151.29 12.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.243 -0.911 . . . . 0.0 109.601 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.451 ' C ' ' H ' ' A' ' 8' ' ' VAL . 48.2 t -78.3 109.52 12.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.3 -0.875 . . . . 0.0 109.545 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.04 5.31 0.7 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.265 -0.897 . . . . 0.0 109.426 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.727 HG12 ' N ' ' A' ' 9' ' ' CYS . 1.7 t -116.56 -67.76 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.219 -0.926 . . . . 0.0 109.429 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.727 ' N ' HG12 ' A' ' 8' ' ' VAL . 35.9 m -65.82 -44.82 84.48 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.389 -0.819 . . . . 0.0 109.433 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.57 53.92 0.96 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -126.8 -175.33 3.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.318 -1.107 . . . . 0.0 109.383 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.676 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -123.81 145.77 48.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.236 -0.915 . . . . 0.0 109.779 -179.702 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.676 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 38.6 m-85 -158.17 141.31 15.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.295 -0.878 . . . . 0.0 109.435 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.693 ' O ' HD22 ' A' ' 15' ' ' LEU . 75.4 m -102.48 12.13 36.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.231 -0.918 . . . . 0.0 109.23 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' ' 14' ' ' SER . 3.5 mm? -121.99 100.1 6.8 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.372 -0.83 . . . . 0.0 109.136 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . 36.1 mttm -45.98 -50.74 14.51 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.221 -0.925 . . . . 0.0 109.412 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -56.99 -44.94 83.23 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.143 -0.973 . . . . 0.0 109.201 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.482 ' C ' ' CD ' ' A' ' 18' ' ' GLN . 15.7 tm0? -57.25 -54.27 48.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.136 -0.978 . . . . 0.0 108.95 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.8 ttp -58.06 -48.93 78.64 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.164 -0.96 . . . . 0.0 108.42 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.85 -37.48 79.39 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' HIS . 1.1 m -72.08 -21.76 61.45 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.498 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 10.0 t60 -75.99 -31.09 58.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.671 -0.643 . . . . 0.0 109.295 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.724 ' C ' ' H ' ' A' ' 25' ' ' VAL . 1.6 m-85 -59.67 -32.42 70.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.913 . . . . 0.0 109.172 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -52.93 2.59 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.253 -0.904 . . . . 0.0 108.875 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.724 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.1 t -99.42 -13.03 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.43 -0.794 . . . . 0.0 108.937 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.488 ' CD2' HG11 ' A' ' 8' ' ' VAL . 2.1 m-70 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.544 -0.722 . . . . 0.0 109.438 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.569 ' N ' ' O ' ' A' ' 13' ' ' PHE . 1.1 t80 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.6 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.1 OUTLIER -164.11 156.5 17.13 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.254 -0.904 . . . . 0.0 109.583 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.765 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -73.36 131.62 42.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 0.0 109.3 179.804 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.56 13.62 29.75 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.263 -0.898 . . . . 0.0 109.703 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.695 HG11 ' CG ' ' A' ' 26' ' ' HIS . 5.2 t -128.57 -21.37 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.145 -0.972 . . . . 0.0 109.326 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.765 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 20.1 p -128.2 -13.23 5.06 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.32 -0.863 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.01 116.98 0.38 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.672 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 3.3 tmtp? 174.9 179.18 0.13 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -1.119 . . . . 0.0 109.475 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.696 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -127.57 151.02 49.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.187 -0.946 . . . . 0.0 109.829 -179.683 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.696 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 64.3 m-85 -160.22 155.46 24.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.399 -0.813 . . . . 0.0 109.333 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.8 t -109.37 11.39 25.18 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.277 -0.889 . . . . 0.0 108.965 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -134.9 95.45 3.33 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.502 -0.749 . . . . 0.0 109.04 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.98 -31.63 2.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -0.891 . . . . 0.0 109.307 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -67.13 -44.23 80.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.018 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' NE2' ' CD1' ' A' ' 13' ' ' PHE . 1.6 tm0? -56.35 -54.16 48.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.262 -0.899 . . . . 0.0 109.018 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.6 ' SD ' ' O ' ' A' ' 5' ' ' SER . 6.4 ttp -59.44 -49.04 79.32 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 108.839 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.58 -38.41 66.68 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -71.92 -21.93 61.55 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.531 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 2.5 t60 -76.85 -31.11 56.62 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.252 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.7 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.3 m-85 -51.73 -31.77 27.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.271 -0.893 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -0.21 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.131 -0.981 . . . . 0.0 108.494 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.7 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.3 t -98.45 -14.32 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.695 ' CG ' HG11 ' A' ' 8' ' ' VAL . 15.6 m170 . . . . . 0 N--CA 1.488 1.453 0 O-C-N 121.493 -0.754 . . . . 0.0 109.488 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.8 m -161.95 167.72 24.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.222 -0.924 . . . . 0.0 109.575 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.694 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -55.39 -13.38 1.41 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.307 -0.871 . . . . 0.0 109.653 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER 44.26 10.85 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.097 -1.002 . . . . 0.0 109.038 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.794 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -144.59 -56.0 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.413 -0.804 . . . . 0.0 109.116 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.622 ' N ' HG12 ' A' ' 8' ' ' VAL . 88.0 m -82.67 -48.35 11.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.382 -0.824 . . . . 0.0 109.392 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 6' ' ' CYS . . . 122.79 39.43 0.53 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -114.19 179.5 3.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.249 -1.148 . . . . 0.0 109.342 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.716 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -115.15 149.48 37.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.205 -0.934 . . . . 0.0 109.536 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.716 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 62.5 m-85 -158.55 132.37 7.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 109.513 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.2 t -96.27 8.35 44.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.294 -0.879 . . . . 0.0 109.231 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.9 95.51 3.84 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.37 -0.831 . . . . 0.0 109.17 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 17' ' ' HIS . 64.3 pttt -46.42 -40.24 11.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.28 -0.887 . . . . 0.0 109.468 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.459 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 17.7 t-160 -60.67 -45.26 94.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.114 -0.991 . . . . 0.0 109.131 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.47 ' C ' ' CD ' ' A' ' 18' ' ' GLN . 16.3 tm0? -59.23 -53.73 54.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.288 -0.883 . . . . 0.0 108.847 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.589 ' SD ' ' CE1' ' A' ' 23' ' ' TYR . 15.8 tmm? -61.32 -48.16 82.62 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.363 -0.835 . . . . 0.0 108.773 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -53.42 -36.12 61.16 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.401 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -72.55 -21.95 61.08 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.191 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.604 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 1.1 t60 -76.46 -30.53 57.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.563 -0.711 . . . . 0.0 109.193 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.722 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.0 m-85 -51.1 -30.67 16.75 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.33 -0.857 . . . . 0.0 109.344 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -50.75 -1.73 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.072 -1.017 . . . . 0.0 108.295 179.265 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.722 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -97.51 0.37 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.794 ' CE1' HG11 ' A' ' 8' ' ' VAL . 13.5 m170 . . . . . 0 N--CA 1.488 1.434 0 O-C-N 121.453 -0.779 . . . . 0.0 109.54 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.482 ' CE1' ' HE2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.22 0.533 . . . . 0.0 109.6 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -163.73 155.31 16.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.278 -0.889 . . . . 0.0 109.502 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.757 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -65.54 136.52 56.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.213 -0.929 . . . . 0.0 109.361 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.2 30.94 5.5 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -0.908 . . . . 0.0 109.674 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 t -149.59 -34.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.206 -0.934 . . . . 0.0 109.177 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.757 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 8.0 p -113.92 -13.13 12.57 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.427 -0.795 . . . . 0.0 109.408 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.29 118.02 0.35 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.677 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 174.54 176.44 0.15 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.22 -1.165 . . . . 0.0 109.529 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.728 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -122.24 148.16 45.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 0.0 109.71 -179.714 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.728 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 58.3 m-85 -158.75 132.9 7.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.273 -0.892 . . . . 0.0 109.416 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 t -95.27 5.38 51.89 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.238 -0.914 . . . . 0.0 108.963 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mt -127.93 95.77 4.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.507 -0.745 . . . . 0.0 109.141 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.482 ' HE2' ' CE1' ' A' ' 4' ' ' TYR . 37.5 mttt -46.76 -51.68 15.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 0.0 109.598 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.0 -45.15 61.1 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.07 -1.019 . . . . 0.0 109.282 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' A' ' 19' ' ' MET . 1.4 tm0? -58.31 -54.42 47.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.239 -0.913 . . . . 0.0 109.229 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.522 ' SD ' ' C ' ' A' ' 5' ' ' SER . 20.9 ttp -62.74 -46.34 88.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.315 -0.866 . . . . 0.0 108.988 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.07 -35.48 59.6 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.85 -22.4 60.79 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.702 ' CD2' ' SG ' ' A' ' 6' ' ' CYS . 3.7 t60 -77.22 -31.32 55.13 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.42 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.723 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -51.88 -34.43 41.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.194 -0.941 . . . . 0.0 109.338 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -51.21 0.29 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.211 -0.931 . . . . 0.0 108.688 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.723 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.6 t -97.85 0.15 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.5 ' CE1' ' HA ' ' A' ' 23' ' ' TYR . 14.8 m170 . . . . . 0 C--N 1.302 -1.463 0 O-C-N 121.511 -0.743 . . . . 0.0 109.417 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.545 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -162.99 163.92 25.89 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.165 -0.959 . . . . 0.0 109.543 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 31.9 t -78.01 165.6 23.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.91 . . . . 0.0 109.544 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.564 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -123.19 24.79 8.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.264 -0.897 . . . . 0.0 109.411 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -144.16 -38.06 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 0.0 109.115 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 7.6 p -99.59 -32.79 10.91 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.422 -0.799 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.25 82.3 1.31 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -151.71 179.72 8.16 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.337 -1.096 . . . . 0.0 109.309 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.694 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -121.34 145.14 48.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.243 -0.911 . . . . 0.0 109.79 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.694 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 49.5 m-85 -156.43 132.74 9.97 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.275 -0.89 . . . . 0.0 109.484 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.13 -0.83 57.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.874 . . . . 0.0 109.308 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.65 97.33 5.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 0.0 109.08 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -46.43 -40.55 12.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.292 -0.88 . . . . 0.0 109.547 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -59.4 -45.17 92.26 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.211 -0.93 . . . . 0.0 109.242 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.625 HE22 ' HD1' ' A' ' 13' ' ' PHE . 1.1 tm0? -57.6 -54.13 50.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.157 -0.965 . . . . 0.0 108.982 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.545 ' SD ' ' O ' ' A' ' 5' ' ' SER . 3.3 ttp -61.19 -49.19 78.16 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.379 -0.825 . . . . 0.0 108.881 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.66 -36.93 62.65 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -72.43 -22.05 61.16 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.457 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 4.1 t60 -77.02 -32.15 56.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.567 -0.708 . . . . 0.0 109.233 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.696 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -51.88 -36.81 49.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.27 -0.894 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -47.59 -5.29 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.197 -0.939 . . . . 0.0 108.658 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.696 ' H ' ' C ' ' A' ' 23' ' ' TYR . 5.6 t -96.1 7.26 7.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 23' ' ' TYR . 5.5 m-70 . . . . . 0 N--CA 1.488 1.426 0 O-C-N 121.481 -0.762 . . . . 0.0 109.535 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.582 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.643 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.5 OUTLIER -164.19 152.41 12.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.291 -0.881 . . . . 0.0 109.414 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -60.51 149.69 33.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.919 . . . . 0.0 109.488 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.405 ' CB ' ' OH ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -117.65 11.63 13.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.22 -0.925 . . . . 0.0 109.567 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.511 ' HB ' ' CE1' ' A' ' 26' ' ' HIS . 5.4 t -131.72 -26.21 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.888 . . . . 0.0 109.367 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 19.0 p -122.89 -16.33 7.12 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.304 -0.872 . . . . 0.0 109.392 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.94 119.76 0.64 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.697 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 175.44 -179.04 0.13 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.233 -1.157 . . . . 0.0 109.487 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.733 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -117.71 145.68 44.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.226 -0.921 . . . . 0.0 109.843 -179.644 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.733 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 52.8 m-85 -158.53 134.52 9.08 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 0.0 109.295 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.23 14.58 31.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.103 -0.998 . . . . 0.0 109.201 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.0 94.58 2.83 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.416 -0.802 . . . . 0.0 109.187 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HE2' ' CZ ' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -46.16 -45.9 16.97 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.25 -0.906 . . . . 0.0 109.38 -179.727 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.423 ' ND1' ' N ' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -56.1 -45.3 79.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 108.826 179.49 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.499 ' C ' ' OE1' ' A' ' 18' ' ' GLN . 10.6 tm0? -60.5 -50.9 71.7 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.224 -0.922 . . . . 0.0 108.672 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.643 ' SD ' ' O ' ' A' ' 5' ' ' SER . 32.0 ttp -62.28 -48.78 78.39 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -37.17 65.6 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -21.88 61.28 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.511 ' CD2' ' C ' ' A' ' 22' ' ' HIS . 1.8 t60 -76.62 -30.98 57.14 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.586 -0.696 . . . . 0.0 109.264 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.718 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.6 m-85 -51.52 -31.25 23.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.285 -0.885 . . . . 0.0 109.195 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.54 1.53 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.123 -0.985 . . . . 0.0 108.609 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.718 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -98.75 -15.65 7.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.511 ' CE1' ' HB ' ' A' ' 8' ' ' VAL . 13.1 m170 . . . . . 0 C--N 1.303 -1.445 0 O-C-N 121.483 -0.761 . . . . 0.0 109.243 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.266 0.555 . . . . 0.0 109.696 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.7 m -162.73 154.69 18.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.363 -0.836 . . . . 0.0 109.423 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.774 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -60.71 150.95 30.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.148 -0.97 . . . . 0.0 109.242 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -116.53 21.05 13.78 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.233 -0.917 . . . . 0.0 109.687 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.96 -34.45 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.209 -0.932 . . . . 0.0 109.261 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.774 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 9.6 p -110.43 -12.87 14.35 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.44 -0.787 . . . . 0.0 109.47 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.44 113.54 0.13 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.713 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -179.16 -179.64 0.58 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.182 -1.187 . . . . 0.0 109.426 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.721 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -117.36 151.68 36.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.151 -0.968 . . . . 0.0 109.753 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.721 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 61.9 m-85 -161.95 131.9 4.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.369 -0.832 . . . . 0.0 109.319 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 m -99.22 9.94 42.42 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.188 -0.945 . . . . 0.0 108.909 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 15' ' ' LEU . 78.9 mt -128.91 96.87 4.47 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.532 -0.73 . . . . 0.0 109.074 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -46.19 -41.76 13.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.221 -0.925 . . . . 0.0 109.523 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -45.31 93.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.098 -1.001 . . . . 0.0 109.091 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -57.29 -49.35 76.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.916 . . . . 0.0 108.997 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.475 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 3.5 tmm? -65.62 -49.15 69.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.294 -0.879 . . . . 0.0 108.817 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.39 -39.76 76.75 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -72.18 -21.94 61.36 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.736 ' CD2' ' SG ' ' A' ' 6' ' ' CYS . 6.9 t60 -76.4 -30.78 57.61 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.664 -0.648 . . . . 0.0 109.492 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.677 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -51.4 -35.91 41.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.081 -1.012 . . . . 0.0 109.296 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.68 -2.98 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 108.408 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.677 ' H ' ' C ' ' A' ' 23' ' ' TYR . 9.1 t -95.76 4.72 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 23' ' ' TYR . 28.2 m170 . . . . . 0 N--CA 1.487 1.388 0 O-C-N 121.547 -0.72 . . . . 0.0 109.492 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.576 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -151.44 156.16 40.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.274 -0.891 . . . . 0.0 109.47 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.758 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -57.5 -21.15 35.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.212 -0.93 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.459 ' O ' ' OG ' ' A' ' 7' ' ' SER . 2.6 t 48.08 16.39 0.09 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.304 -0.873 . . . . 0.0 109.837 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.66 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -146.68 -38.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.119 -0.988 . . . . 0.0 108.726 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.758 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -107.72 -36.1 6.51 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.38 64.54 0.55 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 5' ' ' SER . 0.5 OUTLIER -139.94 179.91 6.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.296 -1.12 . . . . 0.0 109.207 179.742 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.671 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -119.09 146.63 44.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.183 -0.948 . . . . 0.0 109.697 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 55.4 m-85 -155.05 131.96 10.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.292 -0.88 . . . . 0.0 109.685 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.588 ' O ' HD12 ' A' ' 15' ' ' LEU . 10.5 t -96.21 5.86 50.08 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.152 -0.968 . . . . 0.0 108.738 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 14' ' ' SER . 4.3 mp -127.16 97.33 4.89 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.92 -45.67 15.57 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.235 -0.915 . . . . 0.0 109.297 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 4.3 t60 -55.22 -45.11 75.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 0.0 108.969 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.51 ' C ' ' CD ' ' A' ' 18' ' ' GLN . 14.9 tm0? -57.8 -54.15 50.17 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.2 -0.937 . . . . 0.0 108.892 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.618 ' SD ' ' CE1' ' A' ' 23' ' ' TYR . 7.8 tmm? -60.47 -48.95 79.53 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.271 -0.893 . . . . 0.0 108.748 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.14 -39.1 77.91 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -71.03 -22.37 62.15 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 3.4 t60 -76.96 -31.69 56.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.523 -0.735 . . . . 0.0 109.132 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.719 ' C ' ' H ' ' A' ' 25' ' ' VAL . 1.7 m-85 -51.83 -32.53 32.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.253 -0.904 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -51.87 0.7 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 108.627 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.719 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -98.65 -16.83 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.66 ' CE1' HG11 ' A' ' 8' ' ' VAL . 14.8 m170 . . . . . 0 N--CA 1.488 1.453 0 O-C-N 121.548 -0.72 . . . . 0.0 109.531 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.56 ' OG ' ' O ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -164.05 166.11 21.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.272 -0.892 . . . . 0.0 109.321 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.765 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -75.52 121.02 21.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.213 -0.93 . . . . 0.0 109.307 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 t -95.62 25.54 4.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.261 -0.899 . . . . 0.0 109.663 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.414 ' HB ' ' CE1' ' A' ' 26' ' ' HIS . 2.7 t -140.63 -30.41 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.18 -0.95 . . . . 0.0 109.322 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.765 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 7.6 p -121.68 -1.63 9.47 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.358 -0.839 . . . . 0.0 109.45 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.3 117.78 0.03 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.7 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 176.45 172.22 0.42 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.303 -1.116 . . . . 0.0 109.564 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.732 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -110.34 150.22 29.09 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.196 -0.94 . . . . 0.0 109.677 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.732 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 44.8 m-85 -163.12 131.93 3.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.365 -0.834 . . . . 0.0 109.28 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.8 t -103.3 14.81 30.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.254 -0.904 . . . . 0.0 108.671 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 mt -134.74 96.53 3.57 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -46.11 -43.44 14.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.885 . . . . 0.0 109.537 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -58.8 -45.18 90.49 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.154 -0.966 . . . . 0.0 109.236 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.498 ' C ' ' OE1' ' A' ' 18' ' ' GLN . 14.1 tm0? -59.38 -54.34 47.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.243 -0.91 . . . . 0.0 108.877 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.473 ' SD ' ' C ' ' A' ' 19' ' ' MET . 10.5 tmm? -58.01 -48.83 78.87 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -38.38 74.49 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.04 -22.16 62.17 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.624 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -76.36 -30.51 57.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.623 -0.673 . . . . 0.0 109.444 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.681 ' C ' ' H ' ' A' ' 25' ' ' VAL . 1.2 m-85 -50.9 -29.43 12.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.223 -0.923 . . . . 0.0 109.216 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -53.07 -1.42 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.681 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -98.61 -2.64 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.414 ' CE1' ' HB ' ' A' ' 8' ' ' VAL . 19.1 m170 . . . . . 0 N--CA 1.488 1.469 0 O-C-N 121.417 -0.802 . . . . 0.0 109.36 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.236 0.541 . . . . 0.0 109.722 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.685 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -151.26 164.07 37.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.273 -0.892 . . . . 0.0 109.369 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.708 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 8.2 t -72.32 162.0 30.06 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.293 -0.879 . . . . 0.0 109.671 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.59 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 2.1 m -126.75 25.9 6.31 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.391 -0.818 . . . . 0.0 109.51 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.402 ' HB ' ' CE1' ' A' ' 26' ' ' HIS . 2.6 t -138.7 -36.2 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.217 -0.927 . . . . 0.0 108.784 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.708 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 4.1 p -110.29 -32.02 7.11 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.516 -0.74 . . . . 0.0 109.038 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.41 87.76 1.67 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.582 ' CD ' ' SG ' ' A' ' 9' ' ' CYS . 2.0 mptp? -150.05 -175.9 5.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -1.15 . . . . 0.0 109.229 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.682 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -129.69 148.99 51.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.084 -1.01 . . . . 0.0 109.955 -179.662 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.682 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 30.0 m-85 -161.67 141.51 10.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.376 -0.827 . . . . 0.0 109.312 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.19 1.32 52.17 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.278 -0.889 . . . . 0.0 108.941 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.57 98.23 5.82 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.503 -0.748 . . . . 0.0 109.132 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -45.95 -32.49 2.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.239 -0.913 . . . . 0.0 109.504 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -67.55 -45.32 76.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.132 -0.98 . . . . 0.0 109.226 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.516 ' C ' ' OE1' ' A' ' 18' ' ' GLN . 10.4 tm0? -57.99 -54.29 48.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.19 -0.944 . . . . 0.0 108.75 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.685 ' SD ' ' O ' ' A' ' 5' ' ' SER . 32.3 ttp -58.5 -48.9 79.27 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.73 -36.91 67.76 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.82 -21.78 61.65 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.52 ' NE2' ' SG ' ' A' ' 9' ' ' CYS . 1.9 t60 -76.24 -30.81 58.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.614 -0.679 . . . . 0.0 109.213 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.705 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.1 m-85 -51.31 -30.91 19.81 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.203 -0.936 . . . . 0.0 109.133 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 1.98 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.705 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.3 t -99.35 -2.92 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.487 ' CE1' ' HA ' ' A' ' 23' ' ' TYR . 14.3 m170 . . . . . 0 N--CA 1.488 1.442 0 O-C-N 121.45 -0.781 . . . . 0.0 109.357 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.425 0.631 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.642 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -163.69 158.66 20.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.437 -0.789 . . . . 0.0 108.956 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.781 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -68.48 121.31 16.08 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.07 -1.018 . . . . 0.0 109.573 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.6 t -97.76 18.53 15.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.285 -0.885 . . . . 0.0 109.372 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.516 ' HB ' ' CE1' ' A' ' 26' ' ' HIS . 55.2 t -133.1 -28.85 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.27 -0.894 . . . . 0.0 109.401 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.781 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 28.1 p -122.33 -15.01 7.76 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.207 -0.933 . . . . 0.0 109.608 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.73 114.56 0.7 Allowed Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.725 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 2.6 tmtm? 175.09 -177.55 0.1 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.361 -1.082 . . . . 0.0 109.223 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.731 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -123.03 147.79 46.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.112 -0.993 . . . . 0.0 109.774 -179.693 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.731 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 57.7 m-85 -159.36 131.82 6.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.321 -0.862 . . . . 0.0 109.323 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.55 14.22 32.5 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.245 -0.909 . . . . 0.0 108.615 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mt -131.08 97.34 4.27 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -46.08 -40.98 11.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.282 -0.886 . . . . 0.0 109.526 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -63.55 -45.13 91.91 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.209 -0.932 . . . . 0.0 109.26 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.497 ' C ' ' CD ' ' A' ' 18' ' ' GLN . 16.2 tm0? -58.09 -54.47 46.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.129 -0.982 . . . . 0.0 108.992 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.642 ' SD ' ' O ' ' A' ' 5' ' ' SER . 57.1 ttp -61.08 -48.91 79.53 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.307 -0.871 . . . . 0.0 108.743 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.3 -37.35 64.7 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -72.5 -22.94 60.97 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.666 ' CD2' ' SG ' ' A' ' 6' ' ' CYS . 11.6 t60 -77.3 -30.9 54.41 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.677 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.7 m-85 -58.74 -41.38 86.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.344 -0.848 . . . . 0.0 109.293 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.486 HH11 ' HG3' ' A' ' 24' ' ' ARG . 3.4 mtm-85 -48.35 -5.88 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.098 -1.001 . . . . 0.0 108.37 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.677 ' N ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -95.17 2.54 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 179.63 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' A' ' 23' ' ' TYR . 43.8 m170 . . . . . 0 N--CA 1.488 1.449 0 O-C-N 121.542 -0.724 . . . . 0.0 109.208 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.301 0.572 . . . . 0.0 109.561 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.666 ' O ' ' SD ' ' A' ' 19' ' ' MET . 4.2 m -152.35 156.05 38.82 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.277 -0.889 . . . . 0.0 109.494 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.765 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 1.9 t -72.26 139.61 48.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 0.0 109.63 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -106.14 32.54 4.35 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.355 -0.841 . . . . 0.0 109.298 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.71 -37.13 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.2 -0.938 . . . . 0.0 108.995 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.765 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 3.7 p -107.8 -31.65 7.95 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.581 -0.699 . . . . 0.0 109.225 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.57 80.51 1.45 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.527 ' CD ' ' SG ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -147.61 -175.0 4.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -1.152 . . . . 0.0 109.069 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.642 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.32 146.9 51.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.969 -1.082 . . . . 0.0 110.562 -179.213 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 12' ' ' ARG . 5.0 m-85 -159.95 148.41 17.21 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.43 -0.794 . . . . 0.0 109.162 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.536 ' C ' HD12 ' A' ' 15' ' ' LEU . 16.8 t -103.05 7.65 38.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.27 -0.894 . . . . 0.0 109.108 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.536 HD12 ' C ' ' A' ' 14' ' ' SER . 8.3 mp -120.87 99.52 6.56 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.426 -0.796 . . . . 0.0 109.064 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -45.98 -46.34 16.32 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.256 -0.903 . . . . 0.0 109.3 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -59.36 -44.51 92.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.149 -0.969 . . . . 0.0 108.985 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.444 ' OE1' ' N ' ' A' ' 19' ' ' MET . 19.1 tm0? -55.38 -54.3 45.47 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.284 -0.885 . . . . 0.0 109.007 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.666 ' SD ' ' O ' ' A' ' 5' ' ' SER . 18.1 ttp -59.99 -48.78 80.29 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.277 -0.889 . . . . 0.0 108.694 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.14 -39.0 74.34 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.91 -22.23 65.97 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.461 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 10.7 t60 -76.69 -35.57 57.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.547 -0.721 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.724 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.3 m-85 -51.93 -31.68 29.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.206 -0.934 . . . . 0.0 109.177 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.91 0.48 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.168 -0.957 . . . . 0.0 108.547 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.724 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.1 t -99.53 -18.61 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.1 m170 . . . . . 0 N--CA 1.488 1.449 0 O-C-N 121.484 -0.76 . . . . 0.0 109.598 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.253 0.549 . . . . 0.0 109.595 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.18 158.85 19.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.299 -0.876 . . . . 0.0 109.388 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.766 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -64.58 160.69 19.06 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.198 -0.939 . . . . 0.0 109.372 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.2 m -129.81 11.73 5.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.262 -0.899 . . . . 0.0 109.6 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.555 HG23 ' OH ' ' A' ' 23' ' ' TYR . 1.5 t -136.54 -31.85 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.0 109.045 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.766 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -113.49 -11.77 13.03 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.492 -0.755 . . . . 0.0 109.449 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.34 120.25 0.15 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.748 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 4.4 tmtt? 175.56 -175.92 0.1 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.264 -1.139 . . . . 0.0 109.404 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.748 ' H ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -124.68 152.83 43.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.163 -0.96 . . . . 0.0 109.828 -179.781 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.714 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 67.3 m-85 -162.99 133.9 4.77 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 0.0 109.092 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.652 ' C ' HD12 ' A' ' 15' ' ' LEU . 33.6 m -91.23 1.56 57.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.208 -0.933 . . . . 0.0 109.379 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.652 HD12 ' C ' ' A' ' 14' ' ' SER . 7.5 mp -129.52 95.11 3.92 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.331 -0.856 . . . . 0.0 109.187 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 5.6 ptmt -46.34 -43.0 15.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.336 -0.852 . . . . 0.0 109.461 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.459 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 32.3 m170 -58.55 -45.22 89.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.111 -0.993 . . . . 0.0 109.02 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.551 ' OE1' ' N ' ' A' ' 19' ' ' MET . 17.2 tm0? -57.65 -52.09 66.87 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.36 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.629 ' SD ' ' C ' ' A' ' 19' ' ' MET . 9.1 tmm? -59.69 -48.5 81.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.457 -0.777 . . . . 0.0 108.921 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.33 -37.06 61.96 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -71.23 -22.05 62.05 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.751 ' NE2' ' SG ' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -77.12 -30.51 55.25 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.72 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -50.58 -35.24 29.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.328 -0.858 . . . . 0.0 109.313 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -49.94 -1.75 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.118 -0.989 . . . . 0.0 108.556 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.72 ' H ' ' C ' ' A' ' 23' ' ' TYR . 8.1 t -98.19 6.64 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.681 ' CE1' ' CD1' ' A' ' 23' ' ' TYR . 43.5 m170 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.475 -0.766 . . . . 0.0 109.601 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.403 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.645 ' O ' ' SD ' ' A' ' 19' ' ' MET . 13.4 t -152.94 167.78 28.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.943 . . . . 0.0 109.668 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.759 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -66.29 -23.29 66.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.324 -0.86 . . . . 0.0 109.519 -179.84 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 50.16 15.27 0.18 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.288 -0.882 . . . . 0.0 109.78 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.832 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -144.0 -40.4 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.165 -0.96 . . . . 0.0 108.58 179.742 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.759 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -104.65 -39.48 6.34 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.23 52.06 0.5 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.861 -1.295 . . . . 0.0 109.861 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -125.9 -178.91 4.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.163 -1.198 . . . . 0.0 109.199 179.555 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.683 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -124.21 146.47 48.69 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.113 -0.992 . . . . 0.0 109.971 -179.677 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.611 ' CD1' ' NE2' ' A' ' 18' ' ' GLN . 42.8 m-85 -156.81 132.24 9.28 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.385 -0.822 . . . . 0.0 109.566 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -92.74 2.4 56.76 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.315 -0.866 . . . . 0.0 108.834 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -117.35 98.47 6.44 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.432 -0.793 . . . . 0.0 109.16 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -30.64 2.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.303 -0.873 . . . . 0.0 109.409 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -71.44 -45.38 62.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.211 -0.931 . . . . 0.0 109.038 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.611 ' NE2' ' CD1' ' A' ' 13' ' ' PHE . 5.2 tm0? -57.29 -47.25 81.95 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.134 -0.979 . . . . 0.0 108.765 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.645 ' SD ' ' O ' ' A' ' 5' ' ' SER . 4.0 ttp -65.7 -48.99 70.15 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.32 -37.32 77.5 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -69.99 -22.07 63.17 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.641 ' CD2' ' SG ' ' A' ' 6' ' ' CYS . 6.0 t60 -76.76 -33.19 58.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.592 -0.692 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.716 ' C ' ' H ' ' A' ' 25' ' ' VAL . 3.9 m-85 -52.04 -33.25 37.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.295 -0.878 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.34 1.0 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.177 -0.952 . . . . 0.0 108.637 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.716 ' H ' ' C ' ' A' ' 23' ' ' TYR . 3.0 t -99.17 -14.72 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.832 ' CE1' HG11 ' A' ' 8' ' ' VAL . 14.6 m170 . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.484 -0.76 . . . . 0.0 109.549 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 2' ' ' ARG . 18.1 mtt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.484 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -42.84 -53.59 9.82 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 0.0 109.559 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 2' ' ' ARG . 66.4 Cg_endo -79.69 159.96 24.93 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.767 2.311 . . . . 0.0 112.265 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.676 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -65.13 -165.37 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.213 -0.93 . . . . 0.0 109.411 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.51 152.98 26.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.127 -0.983 . . . . 0.0 109.647 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.662 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -53.9 -14.08 0.91 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.409 -0.807 . . . . 0.0 109.595 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.3 m 46.03 8.27 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.15 -0.968 . . . . 0.0 109.175 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.662 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -143.06 -53.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.358 -0.839 . . . . 0.0 109.122 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.598 ' N ' HG12 ' A' ' 8' ' ' VAL . 93.5 m -84.76 -40.08 17.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.403 -0.811 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.17 29.36 3.27 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -102.03 -175.19 2.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.22 -1.164 . . . . 0.0 109.443 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.633 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -126.25 149.77 48.86 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.309 -0.87 . . . . 0.0 109.77 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.676 ' O ' ' N ' ' A' ' 4' ' ' TYR . 31.5 m-85 -160.08 136.47 8.86 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.91 . . . . 0.0 109.505 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.2 6.73 47.94 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 108.986 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mp -121.38 98.78 6.13 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.345 -0.847 . . . . 0.0 109.059 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -46.17 -45.34 16.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.294 -0.878 . . . . 0.0 109.421 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' THR . 4.3 m-70 -60.79 -44.2 97.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.104 -0.998 . . . . 0.0 109.084 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.506 ' OE1' ' N ' ' A' ' 19' ' ' MET . 5.9 tm0? -56.94 -54.12 50.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.261 -0.899 . . . . 0.0 108.793 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.585 ' SD ' ' CE1' ' A' ' 23' ' ' TYR . 11.0 tmm? -60.21 -48.88 79.86 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.37 -36.07 72.94 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' HIS . 1.2 m -69.76 -22.11 63.38 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.456 ' CD2' ' C ' ' A' ' 22' ' ' HIS . 5.0 t60 -76.93 -34.42 57.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.556 -0.715 . . . . 0.0 109.43 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.734 ' C ' ' H ' ' A' ' 25' ' ' VAL . 3.3 m-85 -51.77 -30.1 21.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.229 -0.92 . . . . 0.0 109.173 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -50.92 -0.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.124 -0.985 . . . . 0.0 108.389 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.734 ' H ' ' C ' ' A' ' 23' ' ' TYR . 1.7 t -99.36 -19.44 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.6 ' CE1' HG11 ' A' ' 8' ' ' VAL . 12.6 m170 -84.18 15.17 3.67 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.446 -0.784 . . . . 0.0 109.589 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.5 p -80.16 -152.29 0.08 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.253 -0.904 . . . . 0.0 109.48 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.984 -1.453 . . . . 0.0 109.555 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.516 ' O ' ' C ' ' A' ' 2' ' ' ARG . 1.6 tpp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.516 ' C ' ' O ' ' A' ' 1' ' ' MET . 20.6 tpt180 -37.52 102.83 0.25 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 109.378 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 1' ' ' MET . 61.1 Cg_endo -79.46 173.93 12.52 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.674 2.25 . . . . 0.0 112.361 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -84.15 179.31 7.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.265 -0.897 . . . . 0.0 109.405 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.72 151.29 12.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.243 -0.911 . . . . 0.0 109.601 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.451 ' C ' ' H ' ' A' ' 8' ' ' VAL . 48.2 t -78.3 109.52 12.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.3 -0.875 . . . . 0.0 109.545 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.04 5.31 0.7 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.265 -0.897 . . . . 0.0 109.426 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.727 HG12 ' N ' ' A' ' 9' ' ' CYS . 1.7 t -116.56 -67.76 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.219 -0.926 . . . . 0.0 109.429 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.727 ' N ' HG12 ' A' ' 8' ' ' VAL . 35.9 m -65.82 -44.82 84.48 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.389 -0.819 . . . . 0.0 109.433 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.57 53.92 0.96 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -126.8 -175.33 3.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.318 -1.107 . . . . 0.0 109.383 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.676 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -123.81 145.77 48.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.236 -0.915 . . . . 0.0 109.779 -179.702 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.676 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 38.6 m-85 -158.17 141.31 15.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.295 -0.878 . . . . 0.0 109.435 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.693 ' O ' HD22 ' A' ' 15' ' ' LEU . 75.4 m -102.48 12.13 36.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.231 -0.918 . . . . 0.0 109.23 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' ' 14' ' ' SER . 3.5 mm? -121.99 100.1 6.8 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.372 -0.83 . . . . 0.0 109.136 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . 36.1 mttm -45.98 -50.74 14.51 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.221 -0.925 . . . . 0.0 109.412 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -56.99 -44.94 83.23 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.143 -0.973 . . . . 0.0 109.201 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.482 ' C ' ' CD ' ' A' ' 18' ' ' GLN . 15.7 tm0? -57.25 -54.27 48.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.136 -0.978 . . . . 0.0 108.95 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.8 ttp -58.06 -48.93 78.64 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.164 -0.96 . . . . 0.0 108.42 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.85 -37.48 79.39 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' HIS . 1.1 m -72.08 -21.76 61.45 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.498 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 10.0 t60 -75.99 -31.09 58.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.671 -0.643 . . . . 0.0 109.295 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.724 ' C ' ' H ' ' A' ' 25' ' ' VAL . 1.6 m-85 -59.67 -32.42 70.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.913 . . . . 0.0 109.172 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -52.93 2.59 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.253 -0.904 . . . . 0.0 108.875 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.724 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.1 t -99.42 -13.03 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.43 -0.794 . . . . 0.0 108.937 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.488 ' CD2' HG11 ' A' ' 8' ' ' VAL . 2.1 m-70 -84.31 8.39 16.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.544 -0.722 . . . . 0.0 109.438 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.1 t -76.76 31.38 0.13 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.249 -0.907 . . . . 0.0 109.5 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 26' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.415 ' H2 ' ' H ' ' A' ' 2' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.415 ' H ' ' H2 ' ' A' ' 1' ' ' MET . 11.4 mtm180 -117.58 87.82 27.23 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.306 -0.871 . . . . 0.0 109.389 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -78.49 167.56 22.61 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.844 2.363 . . . . 0.0 112.342 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.566 ' N ' ' O ' ' A' ' 13' ' ' PHE . 1.1 t80 -102.2 -170.73 1.86 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.263 -0.898 . . . . 0.0 109.489 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.6 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.1 OUTLIER -164.11 156.5 17.13 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.254 -0.904 . . . . 0.0 109.583 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.488 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -73.36 131.62 42.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 0.0 109.3 179.804 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.56 13.62 29.75 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.263 -0.898 . . . . 0.0 109.703 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.695 HG11 ' CG ' ' A' ' 26' ' ' HIS . 5.2 t -128.57 -21.37 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.145 -0.972 . . . . 0.0 109.326 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.488 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 20.1 p -128.2 -13.23 5.06 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.32 -0.863 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.01 116.98 0.38 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.672 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 3.3 tmtp? 174.9 179.18 0.13 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -1.119 . . . . 0.0 109.475 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.696 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -127.57 151.02 49.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.187 -0.946 . . . . 0.0 109.829 -179.683 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.696 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 64.3 m-85 -160.22 155.46 24.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.399 -0.813 . . . . 0.0 109.333 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.8 t -109.37 11.39 25.18 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.277 -0.889 . . . . 0.0 108.965 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -134.9 95.45 3.33 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.502 -0.749 . . . . 0.0 109.04 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.98 -31.63 2.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -0.891 . . . . 0.0 109.307 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -67.13 -44.23 80.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.018 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' NE2' ' CD1' ' A' ' 13' ' ' PHE . 1.6 tm0? -56.35 -54.16 48.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.262 -0.899 . . . . 0.0 109.018 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.6 ' SD ' ' O ' ' A' ' 5' ' ' SER . 6.4 ttp -59.44 -49.04 79.32 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 108.839 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.58 -38.41 66.68 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -71.92 -21.93 61.55 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.531 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 2.5 t60 -76.85 -31.11 56.62 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.252 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.7 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.3 m-85 -51.73 -31.77 27.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.271 -0.893 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -0.21 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.131 -0.981 . . . . 0.0 108.494 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.7 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.3 t -98.45 -14.32 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.695 ' CG ' HG11 ' A' ' 8' ' ' VAL . 15.6 m170 -86.84 -2.88 58.92 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.493 -0.754 . . . . 0.0 109.488 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' HIS . 81.9 p 42.38 89.98 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.307 -0.871 . . . . 0.0 109.506 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 117.94 -1.478 . . . . 0.0 109.481 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.289 0.566 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -123.24 152.37 63.81 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.181 -0.949 . . . . 0.0 109.492 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -42.46 162.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.923 2.415 . . . . 0.0 112.314 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.39 -162.23 0.89 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.228 -0.92 . . . . 0.0 109.253 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.8 m -161.95 167.72 24.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.222 -0.924 . . . . 0.0 109.575 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.694 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -55.39 -13.38 1.41 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.307 -0.871 . . . . 0.0 109.653 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER 44.26 10.85 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.097 -1.002 . . . . 0.0 109.038 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.694 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -144.59 -56.0 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.413 -0.804 . . . . 0.0 109.116 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.622 ' N ' HG12 ' A' ' 8' ' ' VAL . 88.0 m -82.67 -48.35 11.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.382 -0.824 . . . . 0.0 109.392 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 6' ' ' CYS . . . 122.79 39.43 0.53 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -114.19 179.5 3.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.249 -1.148 . . . . 0.0 109.342 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.716 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -115.15 149.48 37.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.205 -0.934 . . . . 0.0 109.536 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.716 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 62.5 m-85 -158.55 132.37 7.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 109.513 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.2 t -96.27 8.35 44.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.294 -0.879 . . . . 0.0 109.231 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.9 95.51 3.84 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.37 -0.831 . . . . 0.0 109.17 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 17' ' ' HIS . 64.3 pttt -46.42 -40.24 11.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.28 -0.887 . . . . 0.0 109.468 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.459 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 17.7 t-160 -60.67 -45.26 94.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.114 -0.991 . . . . 0.0 109.131 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.47 ' C ' ' CD ' ' A' ' 18' ' ' GLN . 16.3 tm0? -59.23 -53.73 54.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.288 -0.883 . . . . 0.0 108.847 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.589 ' SD ' ' CE1' ' A' ' 23' ' ' TYR . 15.8 tmm? -61.32 -48.16 82.62 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.363 -0.835 . . . . 0.0 108.773 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -53.42 -36.12 61.16 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.401 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -72.55 -21.95 61.08 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.191 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.604 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 1.1 t60 -76.46 -30.53 57.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.563 -0.711 . . . . 0.0 109.193 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.722 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.0 m-85 -51.1 -30.67 16.75 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.33 -0.857 . . . . 0.0 109.344 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -50.75 -1.73 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.072 -1.017 . . . . 0.0 108.295 179.265 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.722 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -97.51 0.37 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.594 ' NE2' HG11 ' A' ' 8' ' ' VAL . 5.6 m-70 -106.86 6.24 29.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.453 -0.779 . . . . 0.0 109.54 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.573 ' O ' ' O ' ' A' ' 26' ' ' HIS . 47.2 p -36.99 161.32 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.211 -0.931 . . . . 0.0 109.496 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 CA-C-O 118.015 -1.436 . . . . 0.0 109.556 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 mtm . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.51 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 18.5 ttm180 -162.55 51.54 0.32 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.183 -0.948 . . . . 0.0 109.536 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 2' ' ' ARG . 43.3 Cg_endo -71.85 -175.58 1.71 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.806 2.337 . . . . 0.0 112.117 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.482 ' CE1' ' HE2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -115.76 178.3 4.36 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.178 -0.951 . . . . 0.0 109.6 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -163.73 155.31 16.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.278 -0.889 . . . . 0.0 109.502 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.449 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -65.54 136.52 56.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.213 -0.929 . . . . 0.0 109.361 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.2 30.94 5.5 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -0.908 . . . . 0.0 109.674 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 t -149.59 -34.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.206 -0.934 . . . . 0.0 109.177 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.449 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 8.0 p -113.92 -13.13 12.57 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.427 -0.795 . . . . 0.0 109.408 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.29 118.02 0.35 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.677 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 174.54 176.44 0.15 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.22 -1.165 . . . . 0.0 109.529 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.728 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -122.24 148.16 45.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 0.0 109.71 -179.714 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.728 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 58.3 m-85 -158.75 132.9 7.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.273 -0.892 . . . . 0.0 109.416 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 t -95.27 5.38 51.89 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.238 -0.914 . . . . 0.0 108.963 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mt -127.93 95.77 4.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.507 -0.745 . . . . 0.0 109.141 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.482 ' HE2' ' CE1' ' A' ' 4' ' ' TYR . 37.5 mttt -46.76 -51.68 15.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 0.0 109.598 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.0 -45.15 61.1 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.07 -1.019 . . . . 0.0 109.282 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' A' ' 19' ' ' MET . 1.4 tm0? -58.31 -54.42 47.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.239 -0.913 . . . . 0.0 109.229 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.522 ' SD ' ' C ' ' A' ' 5' ' ' SER . 20.9 ttp -62.74 -46.34 88.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.315 -0.866 . . . . 0.0 108.988 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.07 -35.48 59.6 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.85 -22.4 60.79 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.467 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 3.7 t60 -77.22 -31.32 55.13 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.42 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.723 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -51.88 -34.43 41.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.194 -0.941 . . . . 0.0 109.338 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -51.21 0.29 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.211 -0.931 . . . . 0.0 108.688 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.723 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.6 t -97.85 0.15 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.5 ' CE1' ' HA ' ' A' ' 23' ' ' TYR . 14.8 m170 -100.21 34.22 2.42 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.511 -0.743 . . . . 0.0 109.417 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.485 HG23 ' N ' ' A' ' 28' ' ' GLY . 8.7 t -49.57 -40.39 38.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 0.0 109.577 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.485 ' N ' HG23 ' A' ' 27' ' ' THR . . . . . . . . 0 N--CA 1.49 2.293 0 CA-C-O 117.993 -1.448 . . . . 0.0 109.532 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 mmt . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.251 0.548 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.562 ' H ' ' HD2' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -94.58 -49.31 0.26 Allowed Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.339 -0.851 . . . . 0.0 109.776 -179.839 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.562 ' HD2' ' H ' ' A' ' 2' ' ' ARG . 59.2 Cg_endo -78.21 165.18 26.09 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.706 2.271 . . . . 0.0 112.357 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -108.64 -175.35 2.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.366 -0.834 . . . . 0.0 109.374 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.545 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -162.99 163.92 25.89 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.165 -0.959 . . . . 0.0 109.543 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.564 ' SG ' ' N ' ' A' ' 7' ' ' SER . 31.9 t -78.01 165.6 23.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.91 . . . . 0.0 109.544 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.564 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -123.19 24.79 8.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.264 -0.897 . . . . 0.0 109.411 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -144.16 -38.06 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 0.0 109.115 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.533 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 7.6 p -99.59 -32.79 10.91 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.422 -0.799 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.25 82.3 1.31 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -151.71 179.72 8.16 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.337 -1.096 . . . . 0.0 109.309 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.694 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -121.34 145.14 48.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.243 -0.911 . . . . 0.0 109.79 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.694 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 49.5 m-85 -156.43 132.74 9.97 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.275 -0.89 . . . . 0.0 109.484 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.13 -0.83 57.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.874 . . . . 0.0 109.308 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.65 97.33 5.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 0.0 109.08 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -46.43 -40.55 12.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.292 -0.88 . . . . 0.0 109.547 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -59.4 -45.17 92.26 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.211 -0.93 . . . . 0.0 109.242 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.625 HE22 ' HD1' ' A' ' 13' ' ' PHE . 1.1 tm0? -57.6 -54.13 50.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.157 -0.965 . . . . 0.0 108.982 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.545 ' SD ' ' O ' ' A' ' 5' ' ' SER . 3.3 ttp -61.19 -49.19 78.16 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.379 -0.825 . . . . 0.0 108.881 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.66 -36.93 62.65 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -72.43 -22.05 61.16 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.457 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 4.1 t60 -77.02 -32.15 56.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.567 -0.708 . . . . 0.0 109.233 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.696 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -51.88 -36.81 49.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.27 -0.894 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -47.59 -5.29 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.197 -0.939 . . . . 0.0 108.658 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.696 ' H ' ' C ' ' A' ' 23' ' ' TYR . 5.6 t -96.1 7.26 7.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 23' ' ' TYR . 5.5 m-70 -105.2 -59.76 1.71 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.481 -0.762 . . . . 0.0 109.535 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.0 t -96.46 24.42 5.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.253 -0.904 . . . . 0.0 109.574 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 118.054 -1.414 . . . . 0.0 109.596 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 2' ' ' ARG . 48.0 mtt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 1' ' ' MET . 32.1 mtt-85 45.38 65.41 6.5 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.297 -0.877 . . . . 0.0 109.616 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -73.09 175.22 10.79 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.853 2.369 . . . . 0.0 112.317 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.568 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -137.79 -171.25 2.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.29 -0.881 . . . . 0.0 109.481 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.643 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.5 OUTLIER -164.19 152.41 12.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.291 -0.881 . . . . 0.0 109.414 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.433 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -60.51 149.69 33.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.919 . . . . 0.0 109.488 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.405 ' CB ' ' OH ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -117.65 11.63 13.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.22 -0.925 . . . . 0.0 109.567 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.511 ' HB ' ' CE1' ' A' ' 26' ' ' HIS . 5.4 t -131.72 -26.21 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.888 . . . . 0.0 109.367 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.0 p -122.89 -16.33 7.12 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.304 -0.872 . . . . 0.0 109.392 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.94 119.76 0.64 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.697 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 175.44 -179.04 0.13 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.233 -1.157 . . . . 0.0 109.487 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.733 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -117.71 145.68 44.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.226 -0.921 . . . . 0.0 109.843 -179.644 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.733 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 52.8 m-85 -158.53 134.52 9.08 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 0.0 109.295 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.23 14.58 31.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.103 -0.998 . . . . 0.0 109.201 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.0 94.58 2.83 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.416 -0.802 . . . . 0.0 109.187 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HE2' ' CZ ' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -46.16 -45.9 16.97 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.25 -0.906 . . . . 0.0 109.38 -179.727 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.423 ' ND1' ' N ' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -56.1 -45.3 79.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 108.826 179.49 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.499 ' C ' ' OE1' ' A' ' 18' ' ' GLN . 10.6 tm0? -60.5 -50.9 71.7 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.224 -0.922 . . . . 0.0 108.672 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.643 ' SD ' ' O ' ' A' ' 5' ' ' SER . 32.0 ttp -62.28 -48.78 78.39 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -37.17 65.6 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -21.88 61.28 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.511 ' CD2' ' C ' ' A' ' 22' ' ' HIS . 1.8 t60 -76.62 -30.98 57.14 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.586 -0.696 . . . . 0.0 109.264 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.718 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.6 m-85 -51.52 -31.25 23.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.285 -0.885 . . . . 0.0 109.195 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.54 1.53 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.123 -0.985 . . . . 0.0 108.609 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.718 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -98.75 -15.65 7.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.67 ' O ' ' N ' ' A' ' 28' ' ' GLY . 13.1 m170 -85.0 -3.0 58.62 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.483 -0.761 . . . . 0.0 109.243 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 26' ' ' HIS . 9.0 t -38.32 -20.97 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.381 -0.824 . . . . 0.0 109.635 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.67 ' N ' ' O ' ' A' ' 26' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 118.01 -1.439 . . . . 0.0 109.536 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.597 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -85.31 -47.75 0.61 Allowed Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.305 -0.872 . . . . 0.0 109.775 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 2' ' ' ARG . 57.3 Cg_endo -76.66 171.58 17.76 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.614 2.21 . . . . 0.0 112.255 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -114.27 -166.14 1.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.696 -179.813 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.7 m -162.73 154.69 18.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.363 -0.836 . . . . 0.0 109.423 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.413 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -60.71 150.95 30.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.148 -0.97 . . . . 0.0 109.242 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -116.53 21.05 13.78 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.233 -0.917 . . . . 0.0 109.687 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.96 -34.45 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.209 -0.932 . . . . 0.0 109.261 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.413 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 9.6 p -110.43 -12.87 14.35 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.44 -0.787 . . . . 0.0 109.47 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.44 113.54 0.13 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.713 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -179.16 -179.64 0.58 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.182 -1.187 . . . . 0.0 109.426 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.721 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -117.36 151.68 36.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.151 -0.968 . . . . 0.0 109.753 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.721 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 61.9 m-85 -161.95 131.9 4.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.369 -0.832 . . . . 0.0 109.319 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 m -99.22 9.94 42.42 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.188 -0.945 . . . . 0.0 108.909 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 15' ' ' LEU . 78.9 mt -128.91 96.87 4.47 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.532 -0.73 . . . . 0.0 109.074 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -46.19 -41.76 13.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.221 -0.925 . . . . 0.0 109.523 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -45.31 93.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.098 -1.001 . . . . 0.0 109.091 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -57.29 -49.35 76.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.916 . . . . 0.0 108.997 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.475 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 3.5 tmm? -65.62 -49.15 69.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.294 -0.879 . . . . 0.0 108.817 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.39 -39.76 76.75 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -72.18 -21.94 61.36 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.474 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 6.9 t60 -76.4 -30.78 57.61 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.664 -0.648 . . . . 0.0 109.492 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.677 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -51.4 -35.91 41.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.081 -1.012 . . . . 0.0 109.296 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.68 -2.98 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 108.408 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.677 ' H ' ' C ' ' A' ' 23' ' ' TYR . 9.1 t -95.76 4.72 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.487 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 7.5 m-70 -102.66 16.75 25.55 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.547 -0.72 . . . . 0.0 109.492 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.02 -168.52 1.77 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.287 -0.883 . . . . 0.0 109.467 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 117.983 -1.454 . . . . 0.0 109.543 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpp? . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -75.74 139.22 70.15 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.177 -0.952 . . . . 0.0 109.364 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -72.69 158.93 49.73 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.576 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -82.14 173.08 12.47 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.253 -0.905 . . . . 0.0 109.391 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -151.44 156.16 40.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.274 -0.891 . . . . 0.0 109.47 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.561 ' HB3' ' H ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -57.5 -21.15 35.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.212 -0.93 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.459 ' O ' ' OG ' ' A' ' 7' ' ' SER . 2.6 t 48.08 16.39 0.09 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.304 -0.873 . . . . 0.0 109.837 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.66 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -146.68 -38.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.119 -0.988 . . . . 0.0 108.726 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.561 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -107.72 -36.1 6.51 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.38 64.54 0.55 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 5' ' ' SER . 0.5 OUTLIER -139.94 179.91 6.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.296 -1.12 . . . . 0.0 109.207 179.742 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.671 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -119.09 146.63 44.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.183 -0.948 . . . . 0.0 109.697 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 55.4 m-85 -155.05 131.96 10.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.292 -0.88 . . . . 0.0 109.685 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.588 ' O ' HD12 ' A' ' 15' ' ' LEU . 10.5 t -96.21 5.86 50.08 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.152 -0.968 . . . . 0.0 108.738 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 14' ' ' SER . 4.3 mp -127.16 97.33 4.89 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.92 -45.67 15.57 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.235 -0.915 . . . . 0.0 109.297 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 4.3 t60 -55.22 -45.11 75.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 0.0 108.969 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.51 ' C ' ' CD ' ' A' ' 18' ' ' GLN . 14.9 tm0? -57.8 -54.15 50.17 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.2 -0.937 . . . . 0.0 108.892 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.618 ' SD ' ' CE1' ' A' ' 23' ' ' TYR . 7.8 tmm? -60.47 -48.95 79.53 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.271 -0.893 . . . . 0.0 108.748 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.14 -39.1 77.91 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -71.03 -22.37 62.15 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 3.4 t60 -76.96 -31.69 56.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.523 -0.735 . . . . 0.0 109.132 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.719 ' C ' ' H ' ' A' ' 25' ' ' VAL . 1.7 m-85 -51.83 -32.53 32.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.253 -0.904 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -51.87 0.7 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 108.627 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.719 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -98.65 -16.83 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.66 ' CE1' HG11 ' A' ' 8' ' ' VAL . 14.8 m170 -83.09 -51.78 7.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.548 -0.72 . . . . 0.0 109.531 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.46 ' OG1' ' C ' ' A' ' 26' ' ' HIS . 0.3 OUTLIER 71.65 -73.1 0.1 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.341 -0.849 . . . . 0.0 109.531 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 53.25 80.14 0.31 Allowed Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.243 -0.91 . . . . 0.0 109.401 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.83 159.24 0.62 Allowed 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.797 2.331 . . . . 0.0 112.27 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -126.78 174.12 9.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.172 -0.955 . . . . 0.0 109.54 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.56 ' OG ' ' O ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -164.05 166.11 21.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.272 -0.892 . . . . 0.0 109.321 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.472 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -75.52 121.02 21.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.213 -0.93 . . . . 0.0 109.307 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 t -95.62 25.54 4.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.261 -0.899 . . . . 0.0 109.663 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.414 ' HB ' ' CE1' ' A' ' 26' ' ' HIS . 2.7 t -140.63 -30.41 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.18 -0.95 . . . . 0.0 109.322 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.472 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 7.6 p -121.68 -1.63 9.47 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.358 -0.839 . . . . 0.0 109.45 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.3 117.78 0.03 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.7 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 176.45 172.22 0.42 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.303 -1.116 . . . . 0.0 109.564 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.732 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -110.34 150.22 29.09 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.196 -0.94 . . . . 0.0 109.677 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.732 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 44.8 m-85 -163.12 131.93 3.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.365 -0.834 . . . . 0.0 109.28 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.8 t -103.3 14.81 30.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.254 -0.904 . . . . 0.0 108.671 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 mt -134.74 96.53 3.57 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -46.11 -43.44 14.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.885 . . . . 0.0 109.537 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -58.8 -45.18 90.49 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.154 -0.966 . . . . 0.0 109.236 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.498 ' C ' ' OE1' ' A' ' 18' ' ' GLN . 14.1 tm0? -59.38 -54.34 47.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.243 -0.91 . . . . 0.0 108.877 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.473 ' SD ' ' C ' ' A' ' 19' ' ' MET . 10.5 tmm? -58.01 -48.83 78.87 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -38.38 74.49 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.04 -22.16 62.17 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.624 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -76.36 -30.51 57.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.623 -0.673 . . . . 0.0 109.444 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.681 ' C ' ' H ' ' A' ' 25' ' ' VAL . 1.2 m-85 -50.9 -29.43 12.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.223 -0.923 . . . . 0.0 109.216 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -53.07 -1.42 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.681 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -98.61 -2.64 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.489 ' O ' ' C ' ' A' ' 27' ' ' THR . 19.1 m170 -98.46 -3.76 35.97 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.417 -0.802 . . . . 0.0 109.36 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.489 ' C ' ' O ' ' A' ' 26' ' ' HIS . 2.6 m -39.31 -55.47 1.71 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.307 -0.871 . . . . 0.0 109.504 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 mtt . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.323 0.582 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -113.86 155.05 45.74 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.244 -0.91 . . . . 0.0 109.45 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.94 -172.98 0.54 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.836 2.357 . . . . 0.0 112.161 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.78 -178.49 4.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 109.722 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.685 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -151.26 164.07 37.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.273 -0.892 . . . . 0.0 109.369 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 7' ' ' SER . 8.2 t -72.32 162.0 30.06 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.293 -0.879 . . . . 0.0 109.671 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.59 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 2.1 m -126.75 25.9 6.31 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.391 -0.818 . . . . 0.0 109.51 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.7 -36.2 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.217 -0.927 . . . . 0.0 108.784 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.582 ' SG ' ' CD ' ' A' ' 11' ' ' LYS . 4.1 p -110.29 -32.02 7.11 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.516 -0.74 . . . . 0.0 109.038 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.41 87.76 1.67 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.582 ' CD ' ' SG ' ' A' ' 9' ' ' CYS . 2.0 mptp? -150.05 -175.9 5.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -1.15 . . . . 0.0 109.229 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.682 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -129.69 148.99 51.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.084 -1.01 . . . . 0.0 109.955 -179.662 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.682 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 30.0 m-85 -161.67 141.51 10.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.376 -0.827 . . . . 0.0 109.312 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.19 1.32 52.17 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.278 -0.889 . . . . 0.0 108.941 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.57 98.23 5.82 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.503 -0.748 . . . . 0.0 109.132 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -45.95 -32.49 2.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.239 -0.913 . . . . 0.0 109.504 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -67.55 -45.32 76.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.132 -0.98 . . . . 0.0 109.226 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.516 ' C ' ' OE1' ' A' ' 18' ' ' GLN . 10.4 tm0? -57.99 -54.29 48.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.19 -0.944 . . . . 0.0 108.75 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.685 ' SD ' ' O ' ' A' ' 5' ' ' SER . 32.3 ttp -58.5 -48.9 79.27 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.73 -36.91 67.76 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.82 -21.78 61.65 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.505 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 1.9 t60 -76.24 -30.81 58.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.614 -0.679 . . . . 0.0 109.213 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.705 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.1 m-85 -51.31 -30.91 19.81 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.203 -0.936 . . . . 0.0 109.133 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 1.98 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.705 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.3 t -99.35 -2.92 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.457 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 8.9 m-70 -96.51 -40.7 8.94 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.45 -0.781 . . . . 0.0 109.357 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.89 -158.32 0.33 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.895 . . . . 0.0 109.573 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 CA-C-O 118.016 -1.435 . . . . 0.0 109.545 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.269 0.557 . . . . 0.0 109.503 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.26 77.17 36.45 Favored Pre-proline 0 N--CA 1.489 1.482 0 O-C-N 121.314 -0.866 . . . . 0.0 109.426 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -71.3 169.33 21.01 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.726 2.284 . . . . 0.0 112.075 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.51 -174.46 3.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.13 -0.981 . . . . 0.0 109.828 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.642 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -163.69 158.66 20.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.437 -0.789 . . . . 0.0 108.956 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.503 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -68.48 121.31 16.08 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.07 -1.018 . . . . 0.0 109.573 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.6 t -97.76 18.53 15.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.285 -0.885 . . . . 0.0 109.372 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.2 t -133.1 -28.85 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.27 -0.894 . . . . 0.0 109.401 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 28.1 p -122.33 -15.01 7.76 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.207 -0.933 . . . . 0.0 109.608 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.73 114.56 0.7 Allowed Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.725 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 2.6 tmtm? 175.09 -177.55 0.1 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.361 -1.082 . . . . 0.0 109.223 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.731 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -123.03 147.79 46.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.112 -0.993 . . . . 0.0 109.774 -179.693 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.731 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 57.7 m-85 -159.36 131.82 6.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.321 -0.862 . . . . 0.0 109.323 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.55 14.22 32.5 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.245 -0.909 . . . . 0.0 108.615 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mt -131.08 97.34 4.27 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -46.08 -40.98 11.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.282 -0.886 . . . . 0.0 109.526 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -63.55 -45.13 91.91 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.209 -0.932 . . . . 0.0 109.26 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.497 ' C ' ' CD ' ' A' ' 18' ' ' GLN . 16.2 tm0? -58.09 -54.47 46.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.129 -0.982 . . . . 0.0 108.992 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.642 ' SD ' ' O ' ' A' ' 5' ' ' SER . 57.1 ttp -61.08 -48.91 79.53 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.307 -0.871 . . . . 0.0 108.743 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.3 -37.35 64.7 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -72.5 -22.94 60.97 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.42 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 11.6 t60 -77.3 -30.9 54.41 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.677 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.7 m-85 -58.74 -41.38 86.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.344 -0.848 . . . . 0.0 109.293 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.486 HH11 ' HG3' ' A' ' 24' ' ' ARG . 3.4 mtm-85 -48.35 -5.88 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.098 -1.001 . . . . 0.0 108.37 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.677 ' N ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -95.17 2.54 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 179.63 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' A' ' 23' ' ' TYR . 8.9 m-70 -97.67 -38.95 9.31 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.542 -0.724 . . . . 0.0 109.208 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.55 147.03 1.39 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.338 -0.851 . . . . 0.0 109.442 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 CA-C-O 117.962 -1.465 . . . . 0.0 109.623 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mtt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -113.7 152.27 45.35 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.247 -0.908 . . . . 0.0 109.433 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -40.9 161.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.775 2.316 . . . . 0.0 112.204 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.23 -177.53 3.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.246 -0.909 . . . . 0.0 109.561 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.666 ' O ' ' SD ' ' A' ' 19' ' ' MET . 4.2 m -152.35 156.05 38.82 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.277 -0.889 . . . . 0.0 109.494 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.531 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 1.9 t -72.26 139.61 48.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 0.0 109.63 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -106.14 32.54 4.35 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.355 -0.841 . . . . 0.0 109.298 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.71 -37.13 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.2 -0.938 . . . . 0.0 108.995 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.531 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 3.7 p -107.8 -31.65 7.95 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.581 -0.699 . . . . 0.0 109.225 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.57 80.51 1.45 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.527 ' CD ' ' SG ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -147.61 -175.0 4.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -1.152 . . . . 0.0 109.069 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.642 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.32 146.9 51.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.969 -1.082 . . . . 0.0 110.562 -179.213 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 12' ' ' ARG . 5.0 m-85 -159.95 148.41 17.21 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.43 -0.794 . . . . 0.0 109.162 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.536 ' C ' HD12 ' A' ' 15' ' ' LEU . 16.8 t -103.05 7.65 38.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.27 -0.894 . . . . 0.0 109.108 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.536 HD12 ' C ' ' A' ' 14' ' ' SER . 8.3 mp -120.87 99.52 6.56 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.426 -0.796 . . . . 0.0 109.064 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -45.98 -46.34 16.32 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.256 -0.903 . . . . 0.0 109.3 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -59.36 -44.51 92.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.149 -0.969 . . . . 0.0 108.985 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.444 ' OE1' ' N ' ' A' ' 19' ' ' MET . 19.1 tm0? -55.38 -54.3 45.47 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.284 -0.885 . . . . 0.0 109.007 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.666 ' SD ' ' O ' ' A' ' 5' ' ' SER . 18.1 ttp -59.99 -48.78 80.29 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.277 -0.889 . . . . 0.0 108.694 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.14 -39.0 74.34 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.91 -22.23 65.97 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.461 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 10.7 t60 -76.69 -35.57 57.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.547 -0.721 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.724 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.3 m-85 -51.93 -31.68 29.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.206 -0.934 . . . . 0.0 109.177 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.91 0.48 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.168 -0.957 . . . . 0.0 108.547 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.724 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.1 t -99.53 -18.61 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -81.5 22.77 0.68 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.484 -0.76 . . . . 0.0 109.598 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.418 ' O ' ' OXT' ' A' ' 28' ' ' GLY . 38.7 p -72.89 -114.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 109.503 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.418 ' OXT' ' O ' ' A' ' 27' ' ' THR . . . . . . . . 0 N--CA 1.489 2.21 0 CA-C-O 117.983 -1.454 . . . . 0.0 109.48 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.87 165.28 12.97 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.318 -0.864 . . . . 0.0 109.407 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -41.98 160.58 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.882 2.388 . . . . 0.0 112.297 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -93.61 -177.56 4.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.233 -0.917 . . . . 0.0 109.595 -179.831 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.18 158.85 19.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.299 -0.876 . . . . 0.0 109.388 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 160.69 19.06 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.198 -0.939 . . . . 0.0 109.372 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.2 m -129.81 11.73 5.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.262 -0.899 . . . . 0.0 109.6 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.555 HG23 ' OH ' ' A' ' 23' ' ' TYR . 1.5 t -136.54 -31.85 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.0 109.045 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.402 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 0.8 OUTLIER -113.49 -11.77 13.03 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.492 -0.755 . . . . 0.0 109.449 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.34 120.25 0.15 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.748 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 4.4 tmtt? 175.56 -175.92 0.1 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.264 -1.139 . . . . 0.0 109.404 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.748 ' H ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -124.68 152.83 43.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.163 -0.96 . . . . 0.0 109.828 -179.781 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.714 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 67.3 m-85 -162.99 133.9 4.77 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 0.0 109.092 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.652 ' C ' HD12 ' A' ' 15' ' ' LEU . 33.6 m -91.23 1.56 57.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.208 -0.933 . . . . 0.0 109.379 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.652 HD12 ' C ' ' A' ' 14' ' ' SER . 7.5 mp -129.52 95.11 3.92 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.331 -0.856 . . . . 0.0 109.187 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 5.6 ptmt -46.34 -43.0 15.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.336 -0.852 . . . . 0.0 109.461 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.459 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 32.3 m170 -58.55 -45.22 89.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.111 -0.993 . . . . 0.0 109.02 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.551 ' OE1' ' N ' ' A' ' 19' ' ' MET . 17.2 tm0? -57.65 -52.09 66.87 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.629 ' SD ' ' C ' ' A' ' 19' ' ' MET . 9.1 tmm? -59.69 -48.5 81.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.457 -0.777 . . . . 0.0 108.921 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.33 -37.06 61.96 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -71.23 -22.05 62.05 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.438 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -77.12 -30.51 55.25 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.72 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -50.58 -35.24 29.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.328 -0.858 . . . . 0.0 109.313 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -49.94 -1.75 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.118 -0.989 . . . . 0.0 108.556 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.72 ' H ' ' C ' ' A' ' 23' ' ' TYR . 8.1 t -98.19 6.64 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.577 ' CD2' ' CD1' ' A' ' 23' ' ' TYR . 5.3 m-70 -102.09 -17.29 16.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.475 -0.766 . . . . 0.0 109.601 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.517 ' O ' ' C ' ' A' ' 28' ' ' GLY . 47.1 m -126.11 -96.27 0.44 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.196 -0.94 . . . . 0.0 109.413 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 27' ' ' THR . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mtp . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.275 0.56 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.613 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 3.9 ttp180 -92.34 -45.93 0.33 Allowed Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.252 -0.905 . . . . 0.0 109.421 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 2' ' ' ARG . 39.7 Cg_exo -57.17 -179.8 0.11 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.83 2.353 . . . . 0.0 112.071 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.12 -168.77 1.35 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.204 -0.935 . . . . 0.0 109.304 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.645 ' O ' ' SD ' ' A' ' 19' ' ' MET . 13.4 t -152.94 167.78 28.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.943 . . . . 0.0 109.668 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.491 ' HB3' ' H ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -66.29 -23.29 66.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.324 -0.86 . . . . 0.0 109.519 -179.84 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 50.16 15.27 0.18 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.288 -0.882 . . . . 0.0 109.78 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.832 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -144.0 -40.4 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.165 -0.96 . . . . 0.0 108.58 179.742 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.491 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -104.65 -39.48 6.34 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.23 52.06 0.5 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.861 -1.295 . . . . 0.0 109.861 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -125.9 -178.91 4.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.163 -1.198 . . . . 0.0 109.199 179.555 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.683 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -124.21 146.47 48.69 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.113 -0.992 . . . . 0.0 109.971 -179.677 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.611 ' CD1' ' NE2' ' A' ' 18' ' ' GLN . 42.8 m-85 -156.81 132.24 9.28 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.385 -0.822 . . . . 0.0 109.566 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -92.74 2.4 56.76 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.315 -0.866 . . . . 0.0 108.834 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -117.35 98.47 6.44 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.432 -0.793 . . . . 0.0 109.16 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -30.64 2.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.303 -0.873 . . . . 0.0 109.409 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -71.44 -45.38 62.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.211 -0.931 . . . . 0.0 109.038 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.611 ' NE2' ' CD1' ' A' ' 13' ' ' PHE . 5.2 tm0? -57.29 -47.25 81.95 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.134 -0.979 . . . . 0.0 108.765 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.645 ' SD ' ' O ' ' A' ' 5' ' ' SER . 4.0 ttp -65.7 -48.99 70.15 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.32 -37.32 77.5 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -69.99 -22.07 63.17 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.459 ' CD2' ' C ' ' A' ' 22' ' ' HIS . 6.0 t60 -76.76 -33.19 58.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.592 -0.692 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.716 ' C ' ' H ' ' A' ' 25' ' ' VAL . 3.9 m-85 -52.04 -33.25 37.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.295 -0.878 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.34 1.0 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.177 -0.952 . . . . 0.0 108.637 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.716 ' H ' ' C ' ' A' ' 23' ' ' TYR . 3.0 t -99.17 -14.72 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.832 ' CE1' HG11 ' A' ' 8' ' ' VAL . 14.6 m170 -85.26 -0.31 54.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.484 -0.76 . . . . 0.0 109.549 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.32 155.27 0.22 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.226 -0.921 . . . . 0.0 109.518 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 CA-C-O 117.992 -1.449 . . . . 0.0 109.546 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.676 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.51 152.98 26.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.127 -0.983 . . . . 0.0 109.647 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.662 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -53.9 -14.08 0.91 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.409 -0.807 . . . . 0.0 109.595 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.3 m 46.03 8.27 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.15 -0.968 . . . . 0.0 109.175 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.662 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -143.06 -53.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.358 -0.839 . . . . 0.0 109.122 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.598 ' N ' HG12 ' A' ' 8' ' ' VAL . 93.5 m -84.76 -40.08 17.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.403 -0.811 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.17 29.36 3.27 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -102.03 -175.19 2.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.22 -1.164 . . . . 0.0 109.443 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.633 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -126.25 149.77 48.86 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.309 -0.87 . . . . 0.0 109.77 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.676 ' O ' ' N ' ' A' ' 4' ' ' TYR . 31.5 m-85 -160.08 136.47 8.86 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.91 . . . . 0.0 109.505 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.2 6.73 47.94 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 108.986 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mp -121.38 98.78 6.13 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.345 -0.847 . . . . 0.0 109.059 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -46.17 -45.34 16.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.294 -0.878 . . . . 0.0 109.421 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' THR . 4.3 m-70 -60.79 -44.2 97.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.104 -0.998 . . . . 0.0 109.084 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.818 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -56.94 -54.12 50.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.261 -0.899 . . . . 0.0 108.793 179.585 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.818 ' N ' HE21 ' A' ' 18' ' ' GLN . 11.0 tmm? -60.21 -48.88 79.86 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.37 -36.07 72.94 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' HIS . 1.2 m -69.76 -22.11 63.38 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.527 ' CD2' ' SG ' ' A' ' 6' ' ' CYS . 5.0 t60 -76.93 -34.42 57.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.556 -0.715 . . . . 0.0 109.43 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.734 ' C ' ' H ' ' A' ' 25' ' ' VAL . 3.3 m-85 -51.77 -30.1 21.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.229 -0.92 . . . . 0.0 109.173 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -50.92 -0.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.124 -0.985 . . . . 0.0 108.389 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.734 ' H ' ' C ' ' A' ' 23' ' ' TYR . 1.7 t -99.36 -19.44 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.485 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 7.6 m-70 . . . . . 0 N--CA 1.488 1.435 0 O-C-N 121.446 -0.784 . . . . 0.0 109.589 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.432 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.72 151.29 12.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.243 -0.911 . . . . 0.0 109.601 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.451 ' C ' ' H ' ' A' ' 8' ' ' VAL . 48.2 t -78.3 109.52 12.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.3 -0.875 . . . . 0.0 109.545 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.04 5.31 0.7 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.265 -0.897 . . . . 0.0 109.426 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.727 HG12 ' N ' ' A' ' 9' ' ' CYS . 1.7 t -116.56 -67.76 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.219 -0.926 . . . . 0.0 109.429 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.727 ' N ' HG12 ' A' ' 8' ' ' VAL . 35.9 m -65.82 -44.82 84.48 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.389 -0.819 . . . . 0.0 109.433 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.57 53.92 0.96 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -126.8 -175.33 3.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.318 -1.107 . . . . 0.0 109.383 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.676 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -123.81 145.77 48.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.236 -0.915 . . . . 0.0 109.779 -179.702 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.676 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 38.6 m-85 -158.17 141.31 15.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.295 -0.878 . . . . 0.0 109.435 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.693 ' O ' HD22 ' A' ' 15' ' ' LEU . 75.4 m -102.48 12.13 36.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.231 -0.918 . . . . 0.0 109.23 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' ' 14' ' ' SER . 3.5 mm? -121.99 100.1 6.8 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.372 -0.83 . . . . 0.0 109.136 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . 36.1 mttm -45.98 -50.74 14.51 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.221 -0.925 . . . . 0.0 109.412 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -56.99 -44.94 83.23 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.143 -0.973 . . . . 0.0 109.201 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.542 ' NE2' ' N ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -57.25 -54.27 48.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.136 -0.978 . . . . 0.0 108.95 179.615 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.542 ' N ' ' NE2' ' A' ' 18' ' ' GLN . 1.8 ttp -58.06 -48.93 78.64 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.164 -0.96 . . . . 0.0 108.42 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.85 -37.48 79.39 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' HIS . 1.1 m -72.08 -21.76 61.45 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.498 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 10.0 t60 -75.99 -31.09 58.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.671 -0.643 . . . . 0.0 109.295 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.724 ' C ' ' H ' ' A' ' 25' ' ' VAL . 1.6 m-85 -59.67 -32.42 70.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.913 . . . . 0.0 109.172 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -52.93 2.59 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.253 -0.904 . . . . 0.0 108.875 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.724 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.1 t -99.42 -13.03 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.43 -0.794 . . . . 0.0 108.937 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.488 ' CD2' HG11 ' A' ' 8' ' ' VAL . 2.1 m-70 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.544 -0.722 . . . . 0.0 109.438 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.569 ' N ' ' O ' ' A' ' 13' ' ' PHE . 1.1 t80 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.6 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.1 OUTLIER -164.11 156.5 17.13 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.254 -0.904 . . . . 0.0 109.583 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.765 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -73.36 131.62 42.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 0.0 109.3 179.804 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.56 13.62 29.75 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.263 -0.898 . . . . 0.0 109.703 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.695 HG11 ' CG ' ' A' ' 26' ' ' HIS . 5.2 t -128.57 -21.37 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.145 -0.972 . . . . 0.0 109.326 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.765 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 20.1 p -128.2 -13.23 5.06 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.32 -0.863 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.01 116.98 0.38 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.672 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 3.3 tmtp? 174.9 179.18 0.13 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -1.119 . . . . 0.0 109.475 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.696 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -127.57 151.02 49.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.187 -0.946 . . . . 0.0 109.829 -179.683 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.696 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 64.3 m-85 -160.22 155.46 24.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.399 -0.813 . . . . 0.0 109.333 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.8 t -109.37 11.39 25.18 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.277 -0.889 . . . . 0.0 108.965 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -134.9 95.45 3.33 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.502 -0.749 . . . . 0.0 109.04 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.98 -31.63 2.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -0.891 . . . . 0.0 109.307 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -67.13 -44.23 80.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.018 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.793 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -56.35 -54.16 48.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.262 -0.899 . . . . 0.0 109.018 179.613 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.793 ' N ' HE21 ' A' ' 18' ' ' GLN . 6.4 ttp -59.44 -49.04 79.32 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 108.839 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.58 -38.41 66.68 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -71.92 -21.93 61.55 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.531 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 2.5 t60 -76.85 -31.11 56.62 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.252 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.7 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.3 m-85 -51.73 -31.77 27.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.271 -0.893 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -0.21 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.131 -0.981 . . . . 0.0 108.494 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.7 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.3 t -98.45 -14.32 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.695 ' CG ' HG11 ' A' ' 8' ' ' VAL . 9.1 m-70 . . . . . 0 N--CA 1.488 1.453 0 O-C-N 121.493 -0.754 . . . . 0.0 109.488 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.8 m -161.95 167.72 24.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.222 -0.924 . . . . 0.0 109.575 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.694 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -55.39 -13.38 1.41 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.307 -0.871 . . . . 0.0 109.653 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER 44.26 10.85 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.097 -1.002 . . . . 0.0 109.038 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.694 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -144.59 -56.0 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.413 -0.804 . . . . 0.0 109.116 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.622 ' N ' HG12 ' A' ' 8' ' ' VAL . 88.0 m -82.67 -48.35 11.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.382 -0.824 . . . . 0.0 109.392 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 6' ' ' CYS . . . 122.79 39.43 0.53 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -114.19 179.5 3.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.249 -1.148 . . . . 0.0 109.342 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.716 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -115.15 149.48 37.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.205 -0.934 . . . . 0.0 109.536 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.716 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 62.5 m-85 -158.55 132.37 7.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 109.513 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.2 t -96.27 8.35 44.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.294 -0.879 . . . . 0.0 109.231 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.9 95.51 3.84 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.37 -0.831 . . . . 0.0 109.17 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 17' ' ' HIS . 64.3 pttt -46.42 -40.24 11.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.28 -0.887 . . . . 0.0 109.468 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.459 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 17.7 t-160 -60.67 -45.26 94.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.114 -0.991 . . . . 0.0 109.131 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.565 ' NE2' ' N ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -59.23 -53.73 54.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.288 -0.883 . . . . 0.0 108.847 179.483 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.589 ' SD ' ' CE1' ' A' ' 23' ' ' TYR . 15.8 tmm? -61.32 -48.16 82.62 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.363 -0.835 . . . . 0.0 108.773 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -53.42 -36.12 61.16 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.401 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -72.55 -21.95 61.08 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.191 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.604 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 1.1 t60 -76.46 -30.53 57.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.563 -0.711 . . . . 0.0 109.193 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.722 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.0 m-85 -51.1 -30.67 16.75 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.33 -0.857 . . . . 0.0 109.344 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -50.75 -1.73 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.072 -1.017 . . . . 0.0 108.295 179.265 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.722 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -97.51 0.37 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.594 ' NE2' HG11 ' A' ' 8' ' ' VAL . 5.6 m-70 . . . . . 0 N--CA 1.488 1.434 0 O-C-N 121.453 -0.779 . . . . 0.0 109.54 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.482 ' CE1' ' HE2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.22 0.533 . . . . 0.0 109.6 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -163.73 155.31 16.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.278 -0.889 . . . . 0.0 109.502 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.757 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -65.54 136.52 56.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.213 -0.929 . . . . 0.0 109.361 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.2 30.94 5.5 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -0.908 . . . . 0.0 109.674 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 t -149.59 -34.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.206 -0.934 . . . . 0.0 109.177 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.757 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 8.0 p -113.92 -13.13 12.57 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.427 -0.795 . . . . 0.0 109.408 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.29 118.02 0.35 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.677 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 174.54 176.44 0.15 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.22 -1.165 . . . . 0.0 109.529 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.728 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -122.24 148.16 45.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 0.0 109.71 -179.714 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.728 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 58.3 m-85 -158.75 132.9 7.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.273 -0.892 . . . . 0.0 109.416 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 t -95.27 5.38 51.89 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.238 -0.914 . . . . 0.0 108.963 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mt -127.93 95.77 4.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.507 -0.745 . . . . 0.0 109.141 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.482 ' HE2' ' CE1' ' A' ' 4' ' ' TYR . 37.5 mttt -46.76 -51.68 15.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 0.0 109.598 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.0 -45.15 61.1 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.07 -1.019 . . . . 0.0 109.282 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.774 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -58.31 -54.42 47.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.239 -0.913 . . . . 0.0 109.229 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.774 ' N ' HE21 ' A' ' 18' ' ' GLN . 20.9 ttp -62.74 -46.34 88.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.315 -0.866 . . . . 0.0 108.988 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.07 -35.48 59.6 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.85 -22.4 60.79 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.702 ' CD2' ' SG ' ' A' ' 6' ' ' CYS . 3.7 t60 -77.22 -31.32 55.13 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.42 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.723 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -51.88 -34.43 41.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.194 -0.941 . . . . 0.0 109.338 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -51.21 0.29 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.211 -0.931 . . . . 0.0 108.688 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.723 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.6 t -97.85 0.15 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.465 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 7.3 m-70 . . . . . 0 C--N 1.302 -1.463 0 O-C-N 121.511 -0.743 . . . . 0.0 109.417 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.545 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -162.99 163.92 25.89 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.165 -0.959 . . . . 0.0 109.543 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 31.9 t -78.01 165.6 23.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.91 . . . . 0.0 109.544 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.564 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -123.19 24.79 8.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.264 -0.897 . . . . 0.0 109.411 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -144.16 -38.06 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 0.0 109.115 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.752 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 7.6 p -99.59 -32.79 10.91 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.422 -0.799 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.25 82.3 1.31 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -151.71 179.72 8.16 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.337 -1.096 . . . . 0.0 109.309 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.694 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -121.34 145.14 48.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.243 -0.911 . . . . 0.0 109.79 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.694 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 49.5 m-85 -156.43 132.74 9.97 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.275 -0.89 . . . . 0.0 109.484 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.13 -0.83 57.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.874 . . . . 0.0 109.308 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.65 97.33 5.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 0.0 109.08 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -46.43 -40.55 12.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.292 -0.88 . . . . 0.0 109.547 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -59.4 -45.17 92.26 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.211 -0.93 . . . . 0.0 109.242 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.822 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -57.6 -54.13 50.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.157 -0.965 . . . . 0.0 108.982 179.576 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.822 ' N ' HE21 ' A' ' 18' ' ' GLN . 3.3 ttp -61.19 -49.19 78.16 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.379 -0.825 . . . . 0.0 108.881 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.66 -36.93 62.65 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -72.43 -22.05 61.16 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.457 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 4.1 t60 -77.02 -32.15 56.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.567 -0.708 . . . . 0.0 109.233 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.696 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -51.88 -36.81 49.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.27 -0.894 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -47.59 -5.29 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.197 -0.939 . . . . 0.0 108.658 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.696 ' H ' ' C ' ' A' ' 23' ' ' TYR . 5.6 t -96.1 7.26 7.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 23' ' ' TYR . 5.5 m-70 . . . . . 0 N--CA 1.488 1.426 0 O-C-N 121.481 -0.762 . . . . 0.0 109.535 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.582 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.643 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.5 OUTLIER -164.19 152.41 12.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.291 -0.881 . . . . 0.0 109.414 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -60.51 149.69 33.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.919 . . . . 0.0 109.488 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.405 ' CB ' ' OH ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -117.65 11.63 13.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.22 -0.925 . . . . 0.0 109.567 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 t -131.72 -26.21 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.888 . . . . 0.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.754 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 19.0 p -122.89 -16.33 7.12 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.304 -0.872 . . . . 0.0 109.392 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.94 119.76 0.64 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.697 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 175.44 -179.04 0.13 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.233 -1.157 . . . . 0.0 109.487 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.733 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -117.71 145.68 44.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.226 -0.921 . . . . 0.0 109.843 -179.644 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.733 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 52.8 m-85 -158.53 134.52 9.08 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 0.0 109.295 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.23 14.58 31.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.103 -0.998 . . . . 0.0 109.201 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.0 94.58 2.83 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.416 -0.802 . . . . 0.0 109.187 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HE2' ' CZ ' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -46.16 -45.9 16.97 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.25 -0.906 . . . . 0.0 109.38 -179.727 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.663 ' H ' ' CD2' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -56.1 -45.3 79.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 108.826 179.49 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.758 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -60.5 -50.9 71.7 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.224 -0.922 . . . . 0.0 108.672 179.338 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.758 ' N ' HE21 ' A' ' 18' ' ' GLN . 32.0 ttp -62.28 -48.78 78.39 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -37.17 65.6 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -21.88 61.28 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.511 ' CD2' ' C ' ' A' ' 22' ' ' HIS . 1.8 t60 -76.62 -30.98 57.14 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.586 -0.696 . . . . 0.0 109.264 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.718 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.6 m-85 -51.52 -31.25 23.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.285 -0.885 . . . . 0.0 109.195 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.54 1.53 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.123 -0.985 . . . . 0.0 108.609 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.718 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -98.75 -15.65 7.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.472 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 8.8 m-70 . . . . . 0 C--N 1.303 -1.445 0 O-C-N 121.483 -0.761 . . . . 0.0 109.243 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.266 0.555 . . . . 0.0 109.696 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.7 m -162.73 154.69 18.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.363 -0.836 . . . . 0.0 109.423 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.774 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -60.71 150.95 30.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.148 -0.97 . . . . 0.0 109.242 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -116.53 21.05 13.78 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.233 -0.917 . . . . 0.0 109.687 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.96 -34.45 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.209 -0.932 . . . . 0.0 109.261 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.774 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 9.6 p -110.43 -12.87 14.35 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.44 -0.787 . . . . 0.0 109.47 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.44 113.54 0.13 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.713 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -179.16 -179.64 0.58 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.182 -1.187 . . . . 0.0 109.426 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.721 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -117.36 151.68 36.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.151 -0.968 . . . . 0.0 109.753 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.721 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 61.9 m-85 -161.95 131.9 4.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.369 -0.832 . . . . 0.0 109.319 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 m -99.22 9.94 42.42 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.188 -0.945 . . . . 0.0 108.909 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 15' ' ' LEU . 78.9 mt -128.91 96.87 4.47 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.532 -0.73 . . . . 0.0 109.074 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -46.19 -41.76 13.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.221 -0.925 . . . . 0.0 109.523 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -45.31 93.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.098 -1.001 . . . . 0.0 109.091 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.779 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -57.29 -49.35 76.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.916 . . . . 0.0 108.997 179.641 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.779 ' N ' HE21 ' A' ' 18' ' ' GLN . 3.5 tmm? -65.62 -49.15 69.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.294 -0.879 . . . . 0.0 108.817 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.39 -39.76 76.75 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -72.18 -21.94 61.36 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.736 ' CD2' ' SG ' ' A' ' 6' ' ' CYS . 6.9 t60 -76.4 -30.78 57.61 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.664 -0.648 . . . . 0.0 109.492 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.677 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -51.4 -35.91 41.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.081 -1.012 . . . . 0.0 109.296 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.68 -2.98 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 108.408 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.677 ' H ' ' C ' ' A' ' 23' ' ' TYR . 9.1 t -95.76 4.72 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.487 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 7.5 m-70 . . . . . 0 N--CA 1.487 1.388 0 O-C-N 121.547 -0.72 . . . . 0.0 109.492 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.576 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.448 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -151.44 156.16 40.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.274 -0.891 . . . . 0.0 109.47 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.758 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -57.5 -21.15 35.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.212 -0.93 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.459 ' O ' ' OG ' ' A' ' 7' ' ' SER . 2.6 t 48.08 16.39 0.09 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.304 -0.873 . . . . 0.0 109.837 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.612 HG11 ' CD2' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -146.68 -38.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.119 -0.988 . . . . 0.0 108.726 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.758 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -107.72 -36.1 6.51 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.38 64.54 0.55 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 5' ' ' SER . 0.5 OUTLIER -139.94 179.91 6.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.296 -1.12 . . . . 0.0 109.207 179.742 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.671 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -119.09 146.63 44.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.183 -0.948 . . . . 0.0 109.697 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 55.4 m-85 -155.05 131.96 10.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.292 -0.88 . . . . 0.0 109.685 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.588 ' O ' HD12 ' A' ' 15' ' ' LEU . 10.5 t -96.21 5.86 50.08 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.152 -0.968 . . . . 0.0 108.738 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 14' ' ' SER . 4.3 mp -127.16 97.33 4.89 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.92 -45.67 15.57 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.235 -0.915 . . . . 0.0 109.297 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 4.3 t60 -55.22 -45.11 75.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 0.0 108.969 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.628 ' NE2' ' N ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -57.8 -54.15 50.17 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.2 -0.937 . . . . 0.0 108.892 179.63 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.628 ' N ' ' NE2' ' A' ' 18' ' ' GLN . 7.8 tmm? -60.47 -48.95 79.53 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.271 -0.893 . . . . 0.0 108.748 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.14 -39.1 77.91 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -71.03 -22.37 62.15 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 3.4 t60 -76.96 -31.69 56.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.523 -0.735 . . . . 0.0 109.132 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.719 ' C ' ' H ' ' A' ' 25' ' ' VAL . 1.7 m-85 -51.83 -32.53 32.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.253 -0.904 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -51.87 0.7 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 108.627 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.719 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -98.65 -16.83 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.612 ' CD2' HG11 ' A' ' 8' ' ' VAL . 8.9 m-70 . . . . . 0 N--CA 1.488 1.453 0 O-C-N 121.548 -0.72 . . . . 0.0 109.531 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.56 ' OG ' ' O ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -164.05 166.11 21.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.272 -0.892 . . . . 0.0 109.321 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.765 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -75.52 121.02 21.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.213 -0.93 . . . . 0.0 109.307 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 t -95.62 25.54 4.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.261 -0.899 . . . . 0.0 109.663 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 t -140.63 -30.41 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.18 -0.95 . . . . 0.0 109.322 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.765 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 7.6 p -121.68 -1.63 9.47 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.358 -0.839 . . . . 0.0 109.45 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.3 117.78 0.03 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.7 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 176.45 172.22 0.42 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.303 -1.116 . . . . 0.0 109.564 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.732 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -110.34 150.22 29.09 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.196 -0.94 . . . . 0.0 109.677 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.732 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 44.8 m-85 -163.12 131.93 3.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.365 -0.834 . . . . 0.0 109.28 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.8 t -103.3 14.81 30.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.254 -0.904 . . . . 0.0 108.671 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 mt -134.74 96.53 3.57 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -46.11 -43.44 14.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.885 . . . . 0.0 109.537 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -58.8 -45.18 90.49 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.154 -0.966 . . . . 0.0 109.236 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.642 ' NE2' ' C ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -59.38 -54.34 47.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.243 -0.91 . . . . 0.0 108.877 179.645 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.582 ' N ' HE21 ' A' ' 18' ' ' GLN . 10.5 tmm? -58.01 -48.83 78.87 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -38.38 74.49 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.04 -22.16 62.17 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.624 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -76.36 -30.51 57.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.623 -0.673 . . . . 0.0 109.444 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.681 ' C ' ' H ' ' A' ' 25' ' ' VAL . 1.2 m-85 -50.9 -29.43 12.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.223 -0.923 . . . . 0.0 109.216 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -53.07 -1.42 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.681 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -98.61 -2.64 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.497 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 7.8 m-70 . . . . . 0 N--CA 1.488 1.469 0 O-C-N 121.417 -0.802 . . . . 0.0 109.36 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.236 0.541 . . . . 0.0 109.722 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.685 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -151.26 164.07 37.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.273 -0.892 . . . . 0.0 109.369 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.768 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 8.2 t -72.32 162.0 30.06 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.293 -0.879 . . . . 0.0 109.671 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.59 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 2.1 m -126.75 25.9 6.31 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.391 -0.818 . . . . 0.0 109.51 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.7 -36.2 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.217 -0.927 . . . . 0.0 108.784 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.768 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 4.1 p -110.29 -32.02 7.11 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.516 -0.74 . . . . 0.0 109.038 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.41 87.76 1.67 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.582 ' CD ' ' SG ' ' A' ' 9' ' ' CYS . 2.0 mptp? -150.05 -175.9 5.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -1.15 . . . . 0.0 109.229 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.682 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -129.69 148.99 51.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.084 -1.01 . . . . 0.0 109.955 -179.662 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.682 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 30.0 m-85 -161.67 141.51 10.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.376 -0.827 . . . . 0.0 109.312 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.19 1.32 52.17 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.278 -0.889 . . . . 0.0 108.941 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.57 98.23 5.82 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.503 -0.748 . . . . 0.0 109.132 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -45.95 -32.49 2.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.239 -0.913 . . . . 0.0 109.504 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -67.55 -45.32 76.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.132 -0.98 . . . . 0.0 109.226 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.666 ' NE2' ' C ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -57.99 -54.29 48.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.19 -0.944 . . . . 0.0 108.75 179.587 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.685 ' SD ' ' O ' ' A' ' 5' ' ' SER . 32.3 ttp -58.5 -48.9 79.27 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.73 -36.91 67.76 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.82 -21.78 61.65 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.505 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 1.9 t60 -76.24 -30.81 58.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.614 -0.679 . . . . 0.0 109.213 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.705 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.1 m-85 -51.31 -30.91 19.81 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.203 -0.936 . . . . 0.0 109.133 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 1.98 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.705 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.3 t -99.35 -2.92 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.457 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 8.9 m-70 . . . . . 0 N--CA 1.488 1.442 0 O-C-N 121.45 -0.781 . . . . 0.0 109.357 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.425 0.631 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.642 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -163.69 158.66 20.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.437 -0.789 . . . . 0.0 108.956 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.781 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -68.48 121.31 16.08 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.07 -1.018 . . . . 0.0 109.573 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.6 t -97.76 18.53 15.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.285 -0.885 . . . . 0.0 109.372 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.2 t -133.1 -28.85 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.27 -0.894 . . . . 0.0 109.401 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.781 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 28.1 p -122.33 -15.01 7.76 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.207 -0.933 . . . . 0.0 109.608 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.73 114.56 0.7 Allowed Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.725 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 2.6 tmtm? 175.09 -177.55 0.1 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.361 -1.082 . . . . 0.0 109.223 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.731 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -123.03 147.79 46.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.112 -0.993 . . . . 0.0 109.774 -179.693 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.731 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 57.7 m-85 -159.36 131.82 6.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.321 -0.862 . . . . 0.0 109.323 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.55 14.22 32.5 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.245 -0.909 . . . . 0.0 108.615 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mt -131.08 97.34 4.27 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -46.08 -40.98 11.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.282 -0.886 . . . . 0.0 109.526 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -63.55 -45.13 91.91 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.209 -0.932 . . . . 0.0 109.26 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.638 ' NE2' ' N ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -58.09 -54.47 46.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.129 -0.982 . . . . 0.0 108.992 179.633 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.642 ' SD ' ' O ' ' A' ' 5' ' ' SER . 57.1 ttp -61.08 -48.91 79.53 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.307 -0.871 . . . . 0.0 108.743 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.3 -37.35 64.7 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -72.5 -22.94 60.97 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.666 ' CD2' ' SG ' ' A' ' 6' ' ' CYS . 11.6 t60 -77.3 -30.9 54.41 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.677 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.7 m-85 -58.74 -41.38 86.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.344 -0.848 . . . . 0.0 109.293 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.486 ' HG3' HH11 ' A' ' 24' ' ' ARG . 3.4 mtm-85 -48.35 -5.88 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.098 -1.001 . . . . 0.0 108.37 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.677 ' N ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -95.17 2.54 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 179.63 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' A' ' 23' ' ' TYR . 8.9 m-70 . . . . . 0 N--CA 1.488 1.449 0 O-C-N 121.542 -0.724 . . . . 0.0 109.208 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.301 0.572 . . . . 0.0 109.561 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.666 ' O ' ' SD ' ' A' ' 19' ' ' MET . 4.2 m -152.35 156.05 38.82 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.277 -0.889 . . . . 0.0 109.494 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.765 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 1.9 t -72.26 139.61 48.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 0.0 109.63 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -106.14 32.54 4.35 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.355 -0.841 . . . . 0.0 109.298 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.71 -37.13 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.2 -0.938 . . . . 0.0 108.995 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.765 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 3.7 p -107.8 -31.65 7.95 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.581 -0.699 . . . . 0.0 109.225 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.57 80.51 1.45 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.527 ' CD ' ' SG ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -147.61 -175.0 4.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -1.152 . . . . 0.0 109.069 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.642 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.32 146.9 51.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.969 -1.082 . . . . 0.0 110.562 -179.213 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 12' ' ' ARG . 5.0 m-85 -159.95 148.41 17.21 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.43 -0.794 . . . . 0.0 109.162 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.536 ' C ' HD12 ' A' ' 15' ' ' LEU . 16.8 t -103.05 7.65 38.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.27 -0.894 . . . . 0.0 109.108 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.536 HD12 ' C ' ' A' ' 14' ' ' SER . 8.3 mp -120.87 99.52 6.56 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.426 -0.796 . . . . 0.0 109.064 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -45.98 -46.34 16.32 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.256 -0.903 . . . . 0.0 109.3 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -59.36 -44.51 92.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.149 -0.969 . . . . 0.0 108.985 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.594 ' NE2' ' N ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -55.38 -54.3 45.47 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.284 -0.885 . . . . 0.0 109.007 179.497 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.666 ' SD ' ' O ' ' A' ' 5' ' ' SER . 18.1 ttp -59.99 -48.78 80.29 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.277 -0.889 . . . . 0.0 108.694 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.14 -39.0 74.34 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.91 -22.23 65.97 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.461 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 10.7 t60 -76.69 -35.57 57.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.547 -0.721 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.724 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.3 m-85 -51.93 -31.68 29.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.206 -0.934 . . . . 0.0 109.177 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.91 0.48 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.168 -0.957 . . . . 0.0 108.547 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.724 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.1 t -99.53 -18.61 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.473 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 7.0 m-70 . . . . . 0 N--CA 1.488 1.449 0 O-C-N 121.484 -0.76 . . . . 0.0 109.598 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.253 0.549 . . . . 0.0 109.595 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.18 158.85 19.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.299 -0.876 . . . . 0.0 109.388 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.766 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -64.58 160.69 19.06 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.198 -0.939 . . . . 0.0 109.372 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.2 m -129.81 11.73 5.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.262 -0.899 . . . . 0.0 109.6 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.555 HG23 ' OH ' ' A' ' 23' ' ' TYR . 1.5 t -136.54 -31.85 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.0 109.045 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.766 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -113.49 -11.77 13.03 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.492 -0.755 . . . . 0.0 109.449 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.34 120.25 0.15 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.748 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 4.4 tmtt? 175.56 -175.92 0.1 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.264 -1.139 . . . . 0.0 109.404 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.748 ' H ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -124.68 152.83 43.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.163 -0.96 . . . . 0.0 109.828 -179.781 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.714 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 67.3 m-85 -162.99 133.9 4.77 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 0.0 109.092 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.652 ' C ' HD12 ' A' ' 15' ' ' LEU . 33.6 m -91.23 1.56 57.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.208 -0.933 . . . . 0.0 109.379 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.652 HD12 ' C ' ' A' ' 14' ' ' SER . 7.5 mp -129.52 95.11 3.92 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.331 -0.856 . . . . 0.0 109.187 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 5.6 ptmt -46.34 -43.0 15.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.336 -0.852 . . . . 0.0 109.461 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.459 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 39.1 m-70 -58.55 -45.22 89.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.111 -0.993 . . . . 0.0 109.02 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.699 ' NE2' ' N ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -57.65 -52.09 66.87 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.36 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.699 ' N ' ' NE2' ' A' ' 18' ' ' GLN . 9.1 tmm? -59.69 -48.5 81.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.457 -0.777 . . . . 0.0 108.921 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.33 -37.06 61.96 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -71.23 -22.05 62.05 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.751 ' NE2' ' SG ' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -77.12 -30.51 55.25 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.72 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -50.58 -35.24 29.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.328 -0.858 . . . . 0.0 109.313 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -49.94 -1.75 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.118 -0.989 . . . . 0.0 108.556 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.72 ' H ' ' C ' ' A' ' 23' ' ' TYR . 8.1 t -98.19 6.64 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.577 ' CD2' ' CD1' ' A' ' 23' ' ' TYR . 5.3 m-70 . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.475 -0.766 . . . . 0.0 109.601 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.403 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.645 ' O ' ' SD ' ' A' ' 19' ' ' MET . 13.4 t -152.94 167.78 28.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.943 . . . . 0.0 109.668 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -66.29 -23.29 66.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.324 -0.86 . . . . 0.0 109.519 -179.84 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 50.16 15.27 0.18 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.288 -0.882 . . . . 0.0 109.78 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.671 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -144.0 -40.4 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.165 -0.96 . . . . 0.0 108.58 179.742 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.767 ' SG ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -104.65 -39.48 6.34 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.23 52.06 0.5 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.861 -1.295 . . . . 0.0 109.861 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -125.9 -178.91 4.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.163 -1.198 . . . . 0.0 109.199 179.555 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.683 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -124.21 146.47 48.69 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.113 -0.992 . . . . 0.0 109.971 -179.677 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 42.8 m-85 -156.81 132.24 9.28 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.385 -0.822 . . . . 0.0 109.566 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -92.74 2.4 56.76 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.315 -0.866 . . . . 0.0 108.834 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -117.35 98.47 6.44 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.432 -0.793 . . . . 0.0 109.16 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -30.64 2.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.303 -0.873 . . . . 0.0 109.409 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -71.44 -45.38 62.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.211 -0.931 . . . . 0.0 109.038 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.846 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -57.29 -47.25 81.95 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.134 -0.979 . . . . 0.0 108.765 179.473 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.846 ' N ' HE21 ' A' ' 18' ' ' GLN . 4.0 ttp -65.7 -48.99 70.15 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.32 -37.32 77.5 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -69.99 -22.07 63.17 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.641 ' CD2' ' SG ' ' A' ' 6' ' ' CYS . 6.0 t60 -76.76 -33.19 58.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.592 -0.692 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.716 ' C ' ' H ' ' A' ' 25' ' ' VAL . 3.9 m-85 -52.04 -33.25 37.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.295 -0.878 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.34 1.0 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.177 -0.952 . . . . 0.0 108.637 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.716 ' H ' ' C ' ' A' ' 23' ' ' TYR . 3.0 t -99.17 -14.72 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.671 ' CE1' HG11 ' A' ' 8' ' ' VAL . 8.7 m-70 . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.484 -0.76 . . . . 0.0 109.549 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 2' ' ' ARG . 18.1 mtt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.484 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 0.1 OUTLIER -42.84 -53.59 9.82 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.225 -0.922 . . . . 0.0 109.559 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 2' ' ' ARG . 66.4 Cg_endo -79.69 159.96 24.93 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.767 2.311 . . . . 0.0 112.265 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.676 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -65.13 -165.37 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.213 -0.93 . . . . 0.0 109.411 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.51 152.98 26.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.127 -0.983 . . . . 0.0 109.647 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.662 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -53.9 -14.08 0.91 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.409 -0.807 . . . . 0.0 109.595 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' CYS . 1.3 m 46.03 8.27 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.15 -0.968 . . . . 0.0 109.175 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.662 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -143.06 -53.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.358 -0.839 . . . . 0.0 109.122 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.598 ' N ' HG12 ' A' ' 8' ' ' VAL . 93.5 m -84.76 -40.08 17.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.403 -0.811 . . . . 0.0 109.349 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.17 29.36 3.27 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -102.03 -175.19 2.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.22 -1.164 . . . . 0.0 109.443 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.633 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -126.25 149.77 48.86 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.309 -0.87 . . . . 0.0 109.77 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.676 ' O ' ' N ' ' A' ' 4' ' ' TYR . 31.5 m-85 -160.08 136.47 8.86 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.245 -0.91 . . . . 0.0 109.505 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.2 6.73 47.94 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 108.986 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mp -121.38 98.78 6.13 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.345 -0.847 . . . . 0.0 109.059 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -46.17 -45.34 16.65 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.294 -0.878 . . . . 0.0 109.421 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' THR . 4.3 m-70 -60.79 -44.2 97.12 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.104 -0.998 . . . . 0.0 109.084 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.818 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -56.94 -54.12 50.25 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.261 -0.899 . . . . 0.0 108.793 179.585 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.818 ' N ' HE21 ' A' ' 18' ' ' GLN . 11.0 tmm? -60.21 -48.88 79.86 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.37 -36.07 72.94 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 17' ' ' HIS . 1.2 m -69.76 -22.11 63.38 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.456 ' CD2' ' C ' ' A' ' 22' ' ' HIS . 5.0 t60 -76.93 -34.42 57.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.556 -0.715 . . . . 0.0 109.43 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.734 ' C ' ' H ' ' A' ' 25' ' ' VAL . 3.3 m-85 -51.77 -30.1 21.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.229 -0.92 . . . . 0.0 109.173 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -50.92 -0.38 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.124 -0.985 . . . . 0.0 108.389 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.734 ' H ' ' C ' ' A' ' 23' ' ' TYR . 1.7 t -99.36 -19.44 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.485 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 7.6 m-70 -84.18 15.17 3.67 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.446 -0.784 . . . . 0.0 109.589 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.5 p -80.16 -152.29 0.08 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.253 -0.904 . . . . 0.0 109.48 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 CA-C-O 117.984 -1.453 . . . . 0.0 109.555 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.516 ' O ' ' C ' ' A' ' 2' ' ' ARG . 1.6 tpp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.516 ' C ' ' O ' ' A' ' 1' ' ' MET . 20.6 tpt180 -37.52 102.83 0.25 Allowed Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 109.378 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.427 ' N ' ' O ' ' A' ' 1' ' ' MET . 61.1 Cg_endo -79.46 173.93 12.52 Favored 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.674 2.25 . . . . 0.0 112.361 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -84.15 179.31 7.52 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.265 -0.897 . . . . 0.0 109.405 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -163.72 151.29 12.65 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.243 -0.911 . . . . 0.0 109.601 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.451 ' C ' ' H ' ' A' ' 8' ' ' VAL . 48.2 t -78.3 109.52 12.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.3 -0.875 . . . . 0.0 109.545 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.04 5.31 0.7 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.265 -0.897 . . . . 0.0 109.426 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.727 HG12 ' N ' ' A' ' 9' ' ' CYS . 1.7 t -116.56 -67.76 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.219 -0.926 . . . . 0.0 109.429 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.727 ' N ' HG12 ' A' ' 8' ' ' VAL . 35.9 m -65.82 -44.82 84.48 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.389 -0.819 . . . . 0.0 109.433 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.57 53.92 0.96 Allowed Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -126.8 -175.33 3.38 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.318 -1.107 . . . . 0.0 109.383 179.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.676 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -123.81 145.77 48.83 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.236 -0.915 . . . . 0.0 109.779 -179.702 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.676 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 38.6 m-85 -158.17 141.31 15.01 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.295 -0.878 . . . . 0.0 109.435 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.693 ' O ' HD22 ' A' ' 15' ' ' LEU . 75.4 m -102.48 12.13 36.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.231 -0.918 . . . . 0.0 109.23 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' ' 14' ' ' SER . 3.5 mm? -121.99 100.1 6.8 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.372 -0.83 . . . . 0.0 109.136 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 15' ' ' LEU . 36.1 mttm -45.98 -50.74 14.51 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.221 -0.925 . . . . 0.0 109.412 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -56.99 -44.94 83.23 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.143 -0.973 . . . . 0.0 109.201 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.542 ' NE2' ' N ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -57.25 -54.27 48.67 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.136 -0.978 . . . . 0.0 108.95 179.615 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.542 ' N ' ' NE2' ' A' ' 18' ' ' GLN . 1.8 ttp -58.06 -48.93 78.64 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.164 -0.96 . . . . 0.0 108.42 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.85 -37.48 79.39 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 17' ' ' HIS . 1.1 m -72.08 -21.76 61.45 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.498 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 10.0 t60 -75.99 -31.09 58.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.671 -0.643 . . . . 0.0 109.295 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.724 ' C ' ' H ' ' A' ' 25' ' ' VAL . 1.6 m-85 -59.67 -32.42 70.47 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.24 -0.913 . . . . 0.0 109.172 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -52.93 2.59 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.253 -0.904 . . . . 0.0 108.875 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.724 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.1 t -99.42 -13.03 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.43 -0.794 . . . . 0.0 108.937 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.488 ' CD2' HG11 ' A' ' 8' ' ' VAL . 2.1 m-70 -84.31 8.39 16.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.544 -0.722 . . . . 0.0 109.438 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.1 t -76.76 31.38 0.13 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.249 -0.907 . . . . 0.0 109.5 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 26' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.415 ' H2 ' ' H ' ' A' ' 2' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.415 ' H ' ' H2 ' ' A' ' 1' ' ' MET . 11.4 mtm180 -117.58 87.82 27.23 Favored Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.306 -0.871 . . . . 0.0 109.389 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -78.49 167.56 22.61 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.844 2.363 . . . . 0.0 112.342 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.566 ' N ' ' O ' ' A' ' 13' ' ' PHE . 1.1 t80 -102.2 -170.73 1.86 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.263 -0.898 . . . . 0.0 109.489 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.6 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.1 OUTLIER -164.11 156.5 17.13 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.254 -0.904 . . . . 0.0 109.583 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.488 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -73.36 131.62 42.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 0.0 109.3 179.804 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.56 13.62 29.75 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.263 -0.898 . . . . 0.0 109.703 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.695 HG11 ' CG ' ' A' ' 26' ' ' HIS . 5.2 t -128.57 -21.37 1.65 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.145 -0.972 . . . . 0.0 109.326 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.488 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 20.1 p -128.2 -13.23 5.06 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.32 -0.863 . . . . 0.0 109.26 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.01 116.98 0.38 Allowed Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.667 -1.373 . . . . 0.0 109.667 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.672 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 3.3 tmtp? 174.9 179.18 0.13 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -1.119 . . . . 0.0 109.475 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.696 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -127.57 151.02 49.44 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.187 -0.946 . . . . 0.0 109.829 -179.683 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.696 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 64.3 m-85 -160.22 155.46 24.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.399 -0.813 . . . . 0.0 109.333 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.8 t -109.37 11.39 25.18 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.277 -0.889 . . . . 0.0 108.965 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -134.9 95.45 3.33 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.502 -0.749 . . . . 0.0 109.04 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.98 -31.63 2.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.274 -0.891 . . . . 0.0 109.307 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -67.13 -44.23 80.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.195 -0.941 . . . . 0.0 109.018 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.793 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -56.35 -54.16 48.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.262 -0.899 . . . . 0.0 109.018 179.613 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.793 ' N ' HE21 ' A' ' 18' ' ' GLN . 6.4 ttp -59.44 -49.04 79.32 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.264 -0.897 . . . . 0.0 108.839 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.58 -38.41 66.68 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.436 -0.949 . . . . 0.0 108.436 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -71.92 -21.93 61.55 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.531 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 2.5 t60 -76.85 -31.11 56.62 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.252 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.7 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.3 m-85 -51.73 -31.77 27.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.271 -0.893 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -0.21 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.131 -0.981 . . . . 0.0 108.494 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.7 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.3 t -98.45 -14.32 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.695 ' CG ' HG11 ' A' ' 8' ' ' VAL . 9.1 m-70 -86.84 -2.88 58.92 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.493 -0.754 . . . . 0.0 109.488 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' HIS . 81.9 p 42.38 89.98 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.307 -0.871 . . . . 0.0 109.506 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 CA-C-O 117.94 -1.478 . . . . 0.0 109.481 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.289 0.566 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -123.24 152.37 63.81 Favored Pre-proline 0 N--CA 1.49 1.545 0 O-C-N 121.181 -0.949 . . . . 0.0 109.492 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -42.46 162.22 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.923 2.415 . . . . 0.0 112.314 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.39 -162.23 0.89 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.228 -0.92 . . . . 0.0 109.253 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.8 m -161.95 167.72 24.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.222 -0.924 . . . . 0.0 109.575 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.694 ' O ' ' N ' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -55.39 -13.38 1.41 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.307 -0.871 . . . . 0.0 109.653 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER 44.26 10.85 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.097 -1.002 . . . . 0.0 109.038 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.694 ' N ' ' O ' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -144.59 -56.0 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.413 -0.804 . . . . 0.0 109.116 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.622 ' N ' HG12 ' A' ' 8' ' ' VAL . 88.0 m -82.67 -48.35 11.0 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.382 -0.824 . . . . 0.0 109.392 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 6' ' ' CYS . . . 122.79 39.43 0.53 Allowed Glycine 0 N--CA 1.49 2.272 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -114.19 179.5 3.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.249 -1.148 . . . . 0.0 109.342 179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.716 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -115.15 149.48 37.56 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.205 -0.934 . . . . 0.0 109.536 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.716 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 62.5 m-85 -158.55 132.37 7.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.265 -0.897 . . . . 0.0 109.513 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.2 t -96.27 8.35 44.13 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.294 -0.879 . . . . 0.0 109.231 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.9 95.51 3.84 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.37 -0.831 . . . . 0.0 109.17 179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 17' ' ' HIS . 64.3 pttt -46.42 -40.24 11.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.28 -0.887 . . . . 0.0 109.468 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.459 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 17.7 t-160 -60.67 -45.26 94.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.114 -0.991 . . . . 0.0 109.131 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.565 ' NE2' ' N ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -59.23 -53.73 54.91 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.288 -0.883 . . . . 0.0 108.847 179.483 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.589 ' SD ' ' CE1' ' A' ' 23' ' ' TYR . 15.8 tmm? -61.32 -48.16 82.62 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.363 -0.835 . . . . 0.0 108.773 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -53.42 -36.12 61.16 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.401 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 1.0 OUTLIER -72.55 -21.95 61.08 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.191 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.604 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 1.1 t60 -76.46 -30.53 57.37 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.563 -0.711 . . . . 0.0 109.193 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.722 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.0 m-85 -51.1 -30.67 16.75 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.33 -0.857 . . . . 0.0 109.344 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 24' ' ' ARG . 0.1 OUTLIER -50.75 -1.73 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.072 -1.017 . . . . 0.0 108.295 179.265 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.722 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -97.51 0.37 10.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.594 ' NE2' HG11 ' A' ' 8' ' ' VAL . 5.6 m-70 -106.86 6.24 29.19 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.453 -0.779 . . . . 0.0 109.54 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.573 ' O ' ' O ' ' A' ' 26' ' ' HIS . 47.2 p -36.99 161.32 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.211 -0.931 . . . . 0.0 109.496 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.356 0 CA-C-O 118.015 -1.436 . . . . 0.0 109.556 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.6 mtm . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.51 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 18.5 ttm180 -162.55 51.54 0.32 Allowed Pre-proline 0 N--CA 1.49 1.538 0 O-C-N 121.183 -0.948 . . . . 0.0 109.536 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 2' ' ' ARG . 43.3 Cg_endo -71.85 -175.58 1.71 Allowed 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.806 2.337 . . . . 0.0 112.117 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.482 ' CE1' ' HE2' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -115.76 178.3 4.36 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.178 -0.951 . . . . 0.0 109.6 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.642 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -163.73 155.31 16.77 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.278 -0.889 . . . . 0.0 109.502 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.449 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -65.54 136.52 56.5 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.213 -0.929 . . . . 0.0 109.361 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.2 30.94 5.5 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.248 -0.908 . . . . 0.0 109.674 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 t -149.59 -34.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.206 -0.934 . . . . 0.0 109.177 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.449 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 8.0 p -113.92 -13.13 12.57 Favored 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.427 -0.795 . . . . 0.0 109.408 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.29 118.02 0.35 Allowed Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.677 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 174.54 176.44 0.15 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.22 -1.165 . . . . 0.0 109.529 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.728 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -122.24 148.16 45.32 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.202 -0.936 . . . . 0.0 109.71 -179.714 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.728 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 58.3 m-85 -158.75 132.9 7.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.273 -0.892 . . . . 0.0 109.416 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.2 t -95.27 5.38 51.89 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.238 -0.914 . . . . 0.0 108.963 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mt -127.93 95.77 4.3 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.507 -0.745 . . . . 0.0 109.141 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.482 ' HE2' ' CE1' ' A' ' 4' ' ' TYR . 37.5 mttt -46.76 -51.68 15.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 0.0 109.598 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.0 -45.15 61.1 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.07 -1.019 . . . . 0.0 109.282 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.774 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -58.31 -54.42 47.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.239 -0.913 . . . . 0.0 109.229 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.774 ' N ' HE21 ' A' ' 18' ' ' GLN . 20.9 ttp -62.74 -46.34 88.54 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.315 -0.866 . . . . 0.0 108.988 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.07 -35.48 59.6 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.85 -22.4 60.79 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.467 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 3.7 t60 -77.22 -31.32 55.13 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 120.023 -0.671 . . . . 0.0 109.42 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.723 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER -51.88 -34.43 41.12 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.194 -0.941 . . . . 0.0 109.338 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -51.21 0.29 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.211 -0.931 . . . . 0.0 108.688 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.723 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.6 t -97.85 0.15 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.465 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 7.3 m-70 -100.21 34.22 2.42 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.511 -0.743 . . . . 0.0 109.417 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.485 HG23 ' N ' ' A' ' 28' ' ' GLY . 8.7 t -49.57 -40.39 38.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 0.0 109.577 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.485 ' N ' HG23 ' A' ' 27' ' ' THR . . . . . . . . 0 N--CA 1.49 2.293 0 CA-C-O 117.993 -1.448 . . . . 0.0 109.532 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 mmt . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.251 0.548 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.562 ' H ' ' HD2' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -94.58 -49.31 0.26 Allowed Pre-proline 0 N--CA 1.49 1.54 0 O-C-N 121.339 -0.851 . . . . 0.0 109.776 -179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.562 ' HD2' ' H ' ' A' ' 2' ' ' ARG . 59.2 Cg_endo -78.21 165.18 26.09 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.706 2.271 . . . . 0.0 112.357 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -108.64 -175.35 2.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.366 -0.834 . . . . 0.0 109.374 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.545 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.6 OUTLIER -162.99 163.92 25.89 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.165 -0.959 . . . . 0.0 109.543 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.564 ' SG ' ' N ' ' A' ' 7' ' ' SER . 31.9 t -78.01 165.6 23.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.245 -0.91 . . . . 0.0 109.544 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.564 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -123.19 24.79 8.69 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.264 -0.897 . . . . 0.0 109.411 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.1 t -144.16 -38.06 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.305 -0.872 . . . . 0.0 109.115 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.533 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 7.6 p -99.59 -32.79 10.91 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.422 -0.799 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.25 82.3 1.31 Allowed Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 5' ' ' SER . 0.0 OUTLIER -151.71 179.72 8.16 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.337 -1.096 . . . . 0.0 109.309 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.694 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -121.34 145.14 48.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.243 -0.911 . . . . 0.0 109.79 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.694 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 49.5 m-85 -156.43 132.74 9.97 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.275 -0.89 . . . . 0.0 109.484 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.13 -0.83 57.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.302 -0.874 . . . . 0.0 109.308 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.65 97.33 5.5 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.38 -0.825 . . . . 0.0 109.08 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -46.43 -40.55 12.41 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.292 -0.88 . . . . 0.0 109.547 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -59.4 -45.17 92.26 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.211 -0.93 . . . . 0.0 109.242 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.822 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -57.6 -54.13 50.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.157 -0.965 . . . . 0.0 108.982 179.576 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.822 ' N ' HE21 ' A' ' 18' ' ' GLN . 3.3 ttp -61.19 -49.19 78.16 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.379 -0.825 . . . . 0.0 108.881 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -53.66 -36.93 62.65 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -72.43 -22.05 61.16 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.457 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 4.1 t60 -77.02 -32.15 56.9 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.567 -0.708 . . . . 0.0 109.233 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.696 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -51.88 -36.81 49.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.27 -0.894 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -47.59 -5.29 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.197 -0.939 . . . . 0.0 108.658 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.696 ' H ' ' C ' ' A' ' 23' ' ' TYR . 5.6 t -96.1 7.26 7.43 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 23' ' ' TYR . 5.5 m-70 -105.2 -59.76 1.71 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.481 -0.762 . . . . 0.0 109.535 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 10.0 t -96.46 24.42 5.88 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.253 -0.904 . . . . 0.0 109.574 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 CA-C-O 118.054 -1.414 . . . . 0.0 109.596 -179.923 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 2' ' ' ARG . 48.0 mtt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 1' ' ' MET . 32.1 mtt-85 45.38 65.41 6.5 Favored Pre-proline 0 N--CA 1.49 1.569 0 O-C-N 121.297 -0.877 . . . . 0.0 109.616 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -73.09 175.22 10.79 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.853 2.369 . . . . 0.0 112.317 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.568 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -137.79 -171.25 2.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.29 -0.881 . . . . 0.0 109.481 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.643 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.5 OUTLIER -164.19 152.41 12.8 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.291 -0.881 . . . . 0.0 109.414 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.433 ' HA ' ' SD ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -60.51 149.69 33.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.229 -0.919 . . . . 0.0 109.488 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.405 ' CB ' ' OH ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -117.65 11.63 13.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.22 -0.925 . . . . 0.0 109.567 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 t -131.72 -26.21 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.28 -0.888 . . . . 0.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.0 p -122.89 -16.33 7.12 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.304 -0.872 . . . . 0.0 109.392 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.94 119.76 0.64 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.697 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 175.44 -179.04 0.13 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.233 -1.157 . . . . 0.0 109.487 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.733 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -117.71 145.68 44.26 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.226 -0.921 . . . . 0.0 109.843 -179.644 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.733 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 52.8 m-85 -158.53 134.52 9.08 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 0.0 109.295 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.23 14.58 31.51 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.103 -0.998 . . . . 0.0 109.201 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.0 94.58 2.83 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.416 -0.802 . . . . 0.0 109.187 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HE2' ' CZ ' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -46.16 -45.9 16.97 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.25 -0.906 . . . . 0.0 109.38 -179.727 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.663 ' H ' ' CD2' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -56.1 -45.3 79.49 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 108.826 179.49 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.758 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -60.5 -50.9 71.7 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.224 -0.922 . . . . 0.0 108.672 179.338 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.758 ' N ' HE21 ' A' ' 18' ' ' GLN . 32.0 ttp -62.28 -48.78 78.39 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -37.17 65.6 Favored 'General case' 0 C--N 1.302 -1.48 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -21.88 61.28 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.511 ' CD2' ' C ' ' A' ' 22' ' ' HIS . 1.8 t60 -76.62 -30.98 57.14 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.586 -0.696 . . . . 0.0 109.264 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.718 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.6 m-85 -51.52 -31.25 23.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.285 -0.885 . . . . 0.0 109.195 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.54 1.53 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.123 -0.985 . . . . 0.0 108.609 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.718 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -98.75 -15.65 7.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.378 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.67 ' O ' ' N ' ' A' ' 28' ' ' GLY . 8.8 m-70 -85.0 -3.0 58.62 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.483 -0.761 . . . . 0.0 109.243 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.484 ' C ' ' O ' ' A' ' 26' ' ' HIS . 9.0 t -38.32 -20.97 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.381 -0.824 . . . . 0.0 109.635 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.67 ' N ' ' O ' ' A' ' 26' ' ' HIS . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 118.01 -1.439 . . . . 0.0 109.536 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.597 ' N ' ' HD2' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -85.31 -47.75 0.61 Allowed Pre-proline 0 N--CA 1.49 1.554 0 O-C-N 121.305 -0.872 . . . . 0.0 109.775 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.597 ' HD2' ' N ' ' A' ' 2' ' ' ARG . 57.3 Cg_endo -76.66 171.58 17.76 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.614 2.21 . . . . 0.0 112.255 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -114.27 -166.14 1.07 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.696 -179.813 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.615 ' CB ' ' O ' ' A' ' 11' ' ' LYS . 1.7 m -162.73 154.69 18.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.363 -0.836 . . . . 0.0 109.423 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.413 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -60.71 150.95 30.68 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.148 -0.97 . . . . 0.0 109.242 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -116.53 21.05 13.78 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.233 -0.917 . . . . 0.0 109.687 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -143.96 -34.45 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.209 -0.932 . . . . 0.0 109.261 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.413 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 9.6 p -110.43 -12.87 14.35 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.44 -0.787 . . . . 0.0 109.47 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.44 113.54 0.13 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.713 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -179.16 -179.64 0.58 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.182 -1.187 . . . . 0.0 109.426 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.721 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -117.36 151.68 36.5 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.151 -0.968 . . . . 0.0 109.753 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.721 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 61.9 m-85 -161.95 131.9 4.73 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.369 -0.832 . . . . 0.0 109.319 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 m -99.22 9.94 42.42 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.188 -0.945 . . . . 0.0 108.909 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 15' ' ' LEU . 78.9 mt -128.91 96.87 4.47 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.532 -0.73 . . . . 0.0 109.074 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -46.19 -41.76 13.16 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.221 -0.925 . . . . 0.0 109.523 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.82 -45.31 93.24 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.098 -1.001 . . . . 0.0 109.091 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.779 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -57.29 -49.35 76.37 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.234 -0.916 . . . . 0.0 108.997 179.641 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.779 ' N ' HE21 ' A' ' 18' ' ' GLN . 3.5 tmm? -65.62 -49.15 69.76 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.294 -0.879 . . . . 0.0 108.817 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -57.39 -39.76 76.75 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -72.18 -21.94 61.36 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.474 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 6.9 t60 -76.4 -30.78 57.61 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.664 -0.648 . . . . 0.0 109.492 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.677 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -51.4 -35.91 41.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.081 -1.012 . . . . 0.0 109.296 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.68 -2.98 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 108.408 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.677 ' H ' ' C ' ' A' ' 23' ' ' TYR . 9.1 t -95.76 4.72 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.487 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 7.5 m-70 -102.66 16.75 25.55 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.547 -0.72 . . . . 0.0 109.492 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.02 -168.52 1.77 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.287 -0.883 . . . . 0.0 109.467 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 CA-C-O 117.983 -1.454 . . . . 0.0 109.543 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpp? . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -75.74 139.22 70.15 Favored Pre-proline 0 N--CA 1.49 1.557 0 O-C-N 121.177 -0.952 . . . . 0.0 109.364 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -72.69 158.93 49.73 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.576 ' CB ' ' O ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -82.14 173.08 12.47 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.253 -0.905 . . . . 0.0 109.391 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -151.44 156.16 40.07 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.274 -0.891 . . . . 0.0 109.47 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.561 ' HB3' ' H ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -57.5 -21.15 35.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.212 -0.93 . . . . 0.0 109.322 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.459 ' O ' ' OG ' ' A' ' 7' ' ' SER . 2.6 t 48.08 16.39 0.09 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.304 -0.873 . . . . 0.0 109.837 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.612 HG11 ' CD2' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -146.68 -38.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.119 -0.988 . . . . 0.0 108.726 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.561 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -107.72 -36.1 6.51 Favored 'General case' 0 C--N 1.301 -1.508 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.38 64.54 0.55 Allowed Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 5' ' ' SER . 0.5 OUTLIER -139.94 179.91 6.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.296 -1.12 . . . . 0.0 109.207 179.742 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.671 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -119.09 146.63 44.94 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.183 -0.948 . . . . 0.0 109.697 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.636 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 55.4 m-85 -155.05 131.96 10.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.292 -0.88 . . . . 0.0 109.685 179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.588 ' O ' HD12 ' A' ' 15' ' ' LEU . 10.5 t -96.21 5.86 50.08 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.152 -0.968 . . . . 0.0 108.738 179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 14' ' ' SER . 4.3 mp -127.16 97.33 4.89 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.92 -45.67 15.57 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.235 -0.915 . . . . 0.0 109.297 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 17' ' ' HIS . 4.3 t60 -55.22 -45.11 75.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.163 -0.961 . . . . 0.0 108.969 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.628 ' NE2' ' N ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -57.8 -54.15 50.17 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.2 -0.937 . . . . 0.0 108.892 179.63 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.628 ' N ' ' NE2' ' A' ' 18' ' ' GLN . 7.8 tmm? -60.47 -48.95 79.53 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.271 -0.893 . . . . 0.0 108.748 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.14 -39.1 77.91 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -71.03 -22.37 62.15 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 3.4 t60 -76.96 -31.69 56.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.523 -0.735 . . . . 0.0 109.132 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.719 ' C ' ' H ' ' A' ' 25' ' ' VAL . 1.7 m-85 -51.83 -32.53 32.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.253 -0.904 . . . . 0.0 109.357 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -51.87 0.7 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.217 -0.927 . . . . 0.0 108.627 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.719 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -98.65 -16.83 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.612 ' CD2' HG11 ' A' ' 8' ' ' VAL . 8.9 m-70 -83.09 -51.78 7.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.548 -0.72 . . . . 0.0 109.531 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.46 ' OG1' ' C ' ' A' ' 26' ' ' HIS . 0.3 OUTLIER 71.65 -73.1 0.1 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.341 -0.849 . . . . 0.0 109.531 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.9 ttt85 53.25 80.14 0.31 Allowed Pre-proline 0 N--CA 1.49 1.544 0 O-C-N 121.243 -0.91 . . . . 0.0 109.401 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -47.83 159.24 0.62 Allowed 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.797 2.331 . . . . 0.0 112.27 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -126.78 174.12 9.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.172 -0.955 . . . . 0.0 109.54 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.56 ' OG ' ' O ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -164.05 166.11 21.73 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.272 -0.892 . . . . 0.0 109.321 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.472 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -75.52 121.02 21.75 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.213 -0.93 . . . . 0.0 109.307 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.6 t -95.62 25.54 4.49 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.261 -0.899 . . . . 0.0 109.663 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.7 t -140.63 -30.41 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.18 -0.95 . . . . 0.0 109.322 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.472 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 7.6 p -121.68 -1.63 9.47 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.358 -0.839 . . . . 0.0 109.45 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 69.3 117.78 0.03 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.7 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 176.45 172.22 0.42 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.303 -1.116 . . . . 0.0 109.564 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.732 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -110.34 150.22 29.09 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.196 -0.94 . . . . 0.0 109.677 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.732 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 44.8 m-85 -163.12 131.93 3.97 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.365 -0.834 . . . . 0.0 109.28 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.8 t -103.3 14.81 30.72 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.254 -0.904 . . . . 0.0 108.671 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 mt -134.74 96.53 3.57 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -46.11 -43.44 14.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.285 -0.885 . . . . 0.0 109.537 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -58.8 -45.18 90.49 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.154 -0.966 . . . . 0.0 109.236 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.642 ' NE2' ' C ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -59.38 -54.34 47.79 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.243 -0.91 . . . . 0.0 108.877 179.645 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.582 ' N ' HE21 ' A' ' 18' ' ' GLN . 10.5 tmm? -58.01 -48.83 78.87 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -38.38 74.49 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.04 -22.16 62.17 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.624 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 1.0 OUTLIER -76.36 -30.51 57.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.623 -0.673 . . . . 0.0 109.444 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.681 ' C ' ' H ' ' A' ' 25' ' ' VAL . 1.2 m-85 -50.9 -29.43 12.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.223 -0.923 . . . . 0.0 109.216 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -53.07 -1.42 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.681 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -98.61 -2.64 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.497 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 7.8 m-70 -98.46 -3.76 35.97 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.417 -0.802 . . . . 0.0 109.36 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.489 ' C ' ' O ' ' A' ' 26' ' ' HIS . 2.6 m -39.31 -55.47 1.71 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.307 -0.871 . . . . 0.0 109.504 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.9 mtt . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.323 0.582 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -113.86 155.05 45.74 Favored Pre-proline 0 N--CA 1.491 1.577 0 O-C-N 121.244 -0.91 . . . . 0.0 109.45 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.94 -172.98 0.54 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.836 2.357 . . . . 0.0 112.161 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.78 -178.49 4.52 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.265 -0.897 . . . . 0.0 109.722 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.685 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -151.26 164.07 37.45 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.273 -0.892 . . . . 0.0 109.369 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 7' ' ' SER . 8.2 t -72.32 162.0 30.06 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.293 -0.879 . . . . 0.0 109.671 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.59 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 2.1 m -126.75 25.9 6.31 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.391 -0.818 . . . . 0.0 109.51 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.7 -36.2 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.217 -0.927 . . . . 0.0 108.784 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.582 ' SG ' ' CD ' ' A' ' 11' ' ' LYS . 4.1 p -110.29 -32.02 7.11 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.516 -0.74 . . . . 0.0 109.038 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.41 87.76 1.67 Allowed Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.582 ' CD ' ' SG ' ' A' ' 9' ' ' CYS . 2.0 mptp? -150.05 -175.9 5.23 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -1.15 . . . . 0.0 109.229 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.682 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -129.69 148.99 51.64 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.084 -1.01 . . . . 0.0 109.955 -179.662 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.682 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 30.0 m-85 -161.67 141.51 10.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.376 -0.827 . . . . 0.0 109.312 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.19 1.32 52.17 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.278 -0.889 . . . . 0.0 108.941 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.57 98.23 5.82 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.503 -0.748 . . . . 0.0 109.132 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.8 mttp -45.95 -32.49 2.75 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.239 -0.913 . . . . 0.0 109.504 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -67.55 -45.32 76.02 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.132 -0.98 . . . . 0.0 109.226 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.666 ' NE2' ' C ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -57.99 -54.29 48.59 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.19 -0.944 . . . . 0.0 108.75 179.587 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.685 ' SD ' ' O ' ' A' ' 5' ' ' SER . 32.3 ttp -58.5 -48.9 79.27 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.73 -36.91 67.76 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.82 -21.78 61.65 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 179.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.505 ' C ' ' CD2' ' A' ' 22' ' ' HIS . 1.9 t60 -76.24 -30.81 58.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.614 -0.679 . . . . 0.0 109.213 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.705 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.1 m-85 -51.31 -30.91 19.81 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.203 -0.936 . . . . 0.0 109.133 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 1.98 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.705 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.3 t -99.35 -2.92 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.457 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 8.9 m-70 -96.51 -40.7 8.94 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.45 -0.781 . . . . 0.0 109.357 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.89 -158.32 0.33 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.895 . . . . 0.0 109.573 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 CA-C-O 118.016 -1.435 . . . . 0.0 109.545 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.269 0.557 . . . . 0.0 109.503 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.26 77.17 36.45 Favored Pre-proline 0 N--CA 1.489 1.482 0 O-C-N 121.314 -0.866 . . . . 0.0 109.426 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -71.3 169.33 21.01 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.726 2.284 . . . . 0.0 112.075 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.51 -174.46 3.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.13 -0.981 . . . . 0.0 109.828 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.642 ' O ' ' SD ' ' A' ' 19' ' ' MET . 0.3 OUTLIER -163.69 158.66 20.64 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.437 -0.789 . . . . 0.0 108.956 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.503 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -68.48 121.31 16.08 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.07 -1.018 . . . . 0.0 109.573 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.6 t -97.76 18.53 15.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.285 -0.885 . . . . 0.0 109.372 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.2 t -133.1 -28.85 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.27 -0.894 . . . . 0.0 109.401 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.503 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 28.1 p -122.33 -15.01 7.76 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.207 -0.933 . . . . 0.0 109.608 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.73 114.56 0.7 Allowed Glycine 0 N--CA 1.492 2.392 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.725 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 2.6 tmtm? 175.09 -177.55 0.1 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.361 -1.082 . . . . 0.0 109.223 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.731 ' O ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -123.03 147.79 46.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.112 -0.993 . . . . 0.0 109.774 -179.693 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.731 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 57.7 m-85 -159.36 131.82 6.68 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.321 -0.862 . . . . 0.0 109.323 179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.55 14.22 32.5 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.245 -0.909 . . . . 0.0 108.615 179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mt -131.08 97.34 4.27 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -46.08 -40.98 11.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.282 -0.886 . . . . 0.0 109.526 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -63.55 -45.13 91.91 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.209 -0.932 . . . . 0.0 109.26 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.638 ' NE2' ' N ' ' A' ' 19' ' ' MET . 1.0 OUTLIER -58.09 -54.47 46.61 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.129 -0.982 . . . . 0.0 108.992 179.633 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.642 ' SD ' ' O ' ' A' ' 5' ' ' SER . 57.1 ttp -61.08 -48.91 79.53 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.307 -0.871 . . . . 0.0 108.743 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -54.3 -37.35 64.7 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -72.5 -22.94 60.97 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.42 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 11.6 t60 -77.3 -30.9 54.41 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.677 ' O ' ' N ' ' A' ' 25' ' ' VAL . 3.7 m-85 -58.74 -41.38 86.35 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.344 -0.848 . . . . 0.0 109.293 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.486 ' HG3' HH11 ' A' ' 24' ' ' ARG . 3.4 mtm-85 -48.35 -5.88 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.098 -1.001 . . . . 0.0 108.37 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.677 ' N ' ' O ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -95.17 2.54 9.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 179.63 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' A' ' 23' ' ' TYR . 8.9 m-70 -97.67 -38.95 9.31 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.542 -0.724 . . . . 0.0 109.208 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -173.55 147.03 1.39 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.338 -0.851 . . . . 0.0 109.442 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 CA-C-O 117.962 -1.465 . . . . 0.0 109.623 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mtt . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -113.7 152.27 45.35 Favored Pre-proline 0 N--CA 1.49 1.535 0 O-C-N 121.247 -0.908 . . . . 0.0 109.433 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -40.9 161.48 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.775 2.316 . . . . 0.0 112.204 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.23 -177.53 3.32 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.246 -0.909 . . . . 0.0 109.561 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.666 ' O ' ' SD ' ' A' ' 19' ' ' MET . 4.2 m -152.35 156.05 38.82 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.277 -0.889 . . . . 0.0 109.494 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.531 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 1.9 t -72.26 139.61 48.17 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.271 -0.893 . . . . 0.0 109.63 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m -106.14 32.54 4.35 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.355 -0.841 . . . . 0.0 109.298 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.71 -37.13 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.2 -0.938 . . . . 0.0 108.995 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.531 ' SG ' ' CB ' ' A' ' 6' ' ' CYS . 3.7 p -107.8 -31.65 7.95 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.581 -0.699 . . . . 0.0 109.225 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.57 80.51 1.45 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.527 ' CD ' ' SG ' ' A' ' 9' ' ' CYS . 0.7 OUTLIER -147.61 -175.0 4.69 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -1.152 . . . . 0.0 109.069 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.642 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -133.32 146.9 51.76 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.969 -1.082 . . . . 0.0 110.562 -179.213 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 12' ' ' ARG . 5.0 m-85 -159.95 148.41 17.21 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.43 -0.794 . . . . 0.0 109.162 179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.536 ' C ' HD12 ' A' ' 15' ' ' LEU . 16.8 t -103.05 7.65 38.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.27 -0.894 . . . . 0.0 109.108 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.536 HD12 ' C ' ' A' ' 14' ' ' SER . 8.3 mp -120.87 99.52 6.56 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.426 -0.796 . . . . 0.0 109.064 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -45.98 -46.34 16.32 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.256 -0.903 . . . . 0.0 109.3 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -59.36 -44.51 92.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.149 -0.969 . . . . 0.0 108.985 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.594 ' NE2' ' N ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -55.38 -54.3 45.47 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.284 -0.885 . . . . 0.0 109.007 179.497 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.666 ' SD ' ' O ' ' A' ' 5' ' ' SER . 18.1 ttp -59.99 -48.78 80.29 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.277 -0.889 . . . . 0.0 108.694 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.14 -39.0 74.34 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.91 -22.23 65.97 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.461 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 10.7 t60 -76.69 -35.57 57.82 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.547 -0.721 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.724 ' C ' ' H ' ' A' ' 25' ' ' VAL . 2.3 m-85 -51.93 -31.68 29.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.206 -0.934 . . . . 0.0 109.177 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.91 0.48 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.168 -0.957 . . . . 0.0 108.547 179.422 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.724 ' H ' ' C ' ' A' ' 23' ' ' TYR . 2.1 t -99.53 -18.61 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.473 ' CD2' ' HA ' ' A' ' 23' ' ' TYR . 7.0 m-70 -81.5 22.77 0.68 Allowed 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.484 -0.76 . . . . 0.0 109.598 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.418 ' O ' ' OXT' ' A' ' 28' ' ' GLY . 38.7 p -72.89 -114.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 109.503 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.418 ' OXT' ' O ' ' A' ' 27' ' ' THR . . . . . . . . 0 N--CA 1.489 2.21 0 CA-C-O 117.983 -1.454 . . . . 0.0 109.48 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.87 165.28 12.97 Favored Pre-proline 0 N--CA 1.49 1.57 0 O-C-N 121.318 -0.864 . . . . 0.0 109.407 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_exo -41.98 160.58 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.882 2.388 . . . . 0.0 112.297 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.502 ' N ' ' O ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -93.61 -177.56 4.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.233 -0.917 . . . . 0.0 109.595 -179.831 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.18 158.85 19.56 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.299 -0.876 . . . . 0.0 109.388 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 160.69 19.06 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.198 -0.939 . . . . 0.0 109.372 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.2 m -129.81 11.73 5.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.262 -0.899 . . . . 0.0 109.6 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.555 HG23 ' OH ' ' A' ' 23' ' ' TYR . 1.5 t -136.54 -31.85 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.0 109.045 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.402 ' SG ' ' CE1' ' A' ' 22' ' ' HIS . 0.8 OUTLIER -113.49 -11.77 13.03 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.492 -0.755 . . . . 0.0 109.449 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.34 120.25 0.15 Allowed Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.748 ' CD ' ' H ' ' A' ' 12' ' ' ARG . 4.4 tmtt? 175.56 -175.92 0.1 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.264 -1.139 . . . . 0.0 109.404 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.748 ' H ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -124.68 152.83 43.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.163 -0.96 . . . . 0.0 109.828 -179.781 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.714 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 67.3 m-85 -162.99 133.9 4.77 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.341 -0.849 . . . . 0.0 109.092 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.652 ' C ' HD12 ' A' ' 15' ' ' LEU . 33.6 m -91.23 1.56 57.01 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.208 -0.933 . . . . 0.0 109.379 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.652 HD12 ' C ' ' A' ' 14' ' ' SER . 7.5 mp -129.52 95.11 3.92 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.331 -0.856 . . . . 0.0 109.187 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 5.6 ptmt -46.34 -43.0 15.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.336 -0.852 . . . . 0.0 109.461 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.459 ' H ' ' HG3' ' A' ' 16' ' ' LYS . 39.1 m-70 -58.55 -45.22 89.39 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.111 -0.993 . . . . 0.0 109.02 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.699 ' NE2' ' N ' ' A' ' 19' ' ' MET . 0.8 OUTLIER -57.65 -52.09 66.87 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.36 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.699 ' N ' ' NE2' ' A' ' 18' ' ' GLN . 9.1 tmm? -59.69 -48.5 81.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.457 -0.777 . . . . 0.0 108.921 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.33 -37.06 61.96 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 m -71.23 -22.05 62.05 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.438 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -77.12 -30.51 55.25 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.72 ' C ' ' H ' ' A' ' 25' ' ' VAL . 0.1 OUTLIER -50.58 -35.24 29.05 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.328 -0.858 . . . . 0.0 109.313 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -49.94 -1.75 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.118 -0.989 . . . . 0.0 108.556 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.72 ' H ' ' C ' ' A' ' 23' ' ' TYR . 8.1 t -98.19 6.64 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.577 ' CD2' ' CD1' ' A' ' 23' ' ' TYR . 5.3 m-70 -102.09 -17.29 16.1 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.475 -0.766 . . . . 0.0 109.601 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.517 ' O ' ' C ' ' A' ' 28' ' ' GLY . 47.1 m -126.11 -96.27 0.44 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.196 -0.94 . . . . 0.0 109.413 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 27' ' ' THR . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.5 mtp . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.275 0.56 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.613 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 3.9 ttp180 -92.34 -45.93 0.33 Allowed Pre-proline 0 N--CA 1.49 1.565 0 O-C-N 121.252 -0.905 . . . . 0.0 109.421 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 2' ' ' ARG . 39.7 Cg_exo -57.17 -179.8 0.11 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.83 2.353 . . . . 0.0 112.071 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.12 -168.77 1.35 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.204 -0.935 . . . . 0.0 109.304 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.645 ' O ' ' SD ' ' A' ' 19' ' ' MET . 13.4 t -152.94 167.78 28.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.19 -0.943 . . . . 0.0 109.668 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.491 ' HB3' ' H ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -66.29 -23.29 66.36 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.324 -0.86 . . . . 0.0 109.519 -179.84 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 50.16 15.27 0.18 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.288 -0.882 . . . . 0.0 109.78 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.671 HG11 ' CE1' ' A' ' 26' ' ' HIS . 0.9 OUTLIER -144.0 -40.4 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.165 -0.96 . . . . 0.0 108.58 179.742 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.491 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -104.65 -39.48 6.34 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.23 52.06 0.5 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.861 -1.295 . . . . 0.0 109.861 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -125.9 -178.91 4.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.163 -1.198 . . . . 0.0 109.199 179.555 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.683 ' C ' ' CD ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -124.21 146.47 48.69 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.113 -0.992 . . . . 0.0 109.971 -179.677 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.576 ' CD1' ' O ' ' A' ' 12' ' ' ARG . 42.8 m-85 -156.81 132.24 9.28 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.385 -0.822 . . . . 0.0 109.566 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.2 t -92.74 2.4 56.76 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.315 -0.866 . . . . 0.0 108.834 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mt -117.35 98.47 6.44 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.432 -0.793 . . . . 0.0 109.16 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -30.64 2.3 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.303 -0.873 . . . . 0.0 109.409 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -71.44 -45.38 62.81 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.211 -0.931 . . . . 0.0 109.038 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.846 HE21 ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -57.29 -47.25 81.95 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.134 -0.979 . . . . 0.0 108.765 179.473 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.846 ' N ' HE21 ' A' ' 18' ' ' GLN . 4.0 ttp -65.7 -48.99 70.15 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -59.32 -37.32 77.5 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 m -69.99 -22.07 63.17 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.459 ' CD2' ' C ' ' A' ' 22' ' ' HIS . 6.0 t60 -76.76 -33.19 58.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.592 -0.692 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.716 ' C ' ' H ' ' A' ' 25' ' ' VAL . 3.9 m-85 -52.04 -33.25 37.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.295 -0.878 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.34 1.0 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.177 -0.952 . . . . 0.0 108.637 179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.716 ' H ' ' C ' ' A' ' 23' ' ' TYR . 3.0 t -99.17 -14.72 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.671 ' CE1' HG11 ' A' ' 8' ' ' VAL . 8.7 m-70 -85.26 -0.31 54.29 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.484 -0.76 . . . . 0.0 109.549 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.32 155.27 0.22 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.226 -0.921 . . . . 0.0 109.518 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 CA-C-O 117.992 -1.449 . . . . 0.0 109.546 179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_