data_2fuu_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 2fuu _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 ' 10' ' ' TYR . . . . . 0.547 ' CD1' ' HD1' ' A' ' 32' ' ' TRP . 8.7 m-85 . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.99 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 43.1 t -36.39 134.21 0.46 Allowed 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.281 1.039 . . . . 16.66 113.045 -177.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.728 HG21 ' CD1' ' A' ' 33' ' ' TYR . 7.5 pt -59.91 -7.39 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 113.328 -1.76 . . . . 50.0 108.03 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.99 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -92.46 25.21 3.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 113.546 -1.661 . . . . 16.66 111.326 -178.734 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 47.8 pttt 42.45 72.39 0.18 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -151.95 123.57 3.81 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 116.227 -0.442 . . . . 50.0 110.409 178.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -69.55 177.18 5.69 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 122.288 1.992 . . . . 50.0 111.955 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.505 ' HD1' ' H ' ' A' ' 18' ' ' ASP . 0.6 OUTLIER -61.85 133.28 55.27 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.663 0.745 . . . . 50.0 111.231 -179.123 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.823 ' C ' ' H ' ' A' ' 20' ' ' SER . 77.5 m-20 -141.24 114.26 8.54 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 114.433 -1.258 . . . . 50.0 107.768 177.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.15 7.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.145 0.498 . . . . 50.0 110.246 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.823 ' H ' ' C ' ' A' ' 18' ' ' ASP . 2.6 t -105.82 -7.34 18.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.872 -1.159 . . . . 50.0 107.872 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.673 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 3.7 tptp -115.26 131.76 56.83 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 113.923 -1.489 . . . . 50.0 108.142 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.457 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 46.6 p90 -109.68 141.29 42.47 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.127 -0.694 . . . . 16.66 109.127 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.58 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 24.2 m-85 -116.8 175.74 5.44 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 116.532 2.049 . . . . 50.0 116.532 -175.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.938 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.98 128.86 6.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-N 109.161 -3.654 . . . . 16.66 106.464 177.564 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -88.46 126.29 8.06 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 120.955 -0.641 . . . . 16.66 114.201 -177.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 1.423 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.7 t -47.72 113.23 0.67 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.97 -1.492 . . . . 16.66 106.97 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.614 ' HB3' HG23 ' A' ' 52' ' ' VAL . 22.1 t70 -63.13 -35.43 80.25 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.647 0.737 . . . . 25.0 109.617 -178.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.402 ' HB3' ' HB2' ' A' ' 56' ' ' CYS . 21.5 ttm-85 -102.51 -27.28 12.87 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 114.555 -1.202 . . . . 50.0 110.563 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.327 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -89.45 -28.12 19.92 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 119.751 -0.78 . . . . 16.66 110.397 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.769 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER 74.08 25.65 1.8 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.773 0.657 . . . . 16.66 112.773 178.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.617 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 25.6 p30 -133.58 169.71 16.6 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 121.749 -0.594 . . . . 50.0 111.353 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.547 ' HD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -118.09 149.22 41.37 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 116.59 2.07 . . . . 16.66 116.59 -174.377 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.728 ' CD1' HG21 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -140.46 165.18 28.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 113.936 -1.484 . . . . 50.0 108.606 173.58 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.673 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -71.68 143.37 49.72 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 106.501 -1.666 . . . . 16.66 106.501 176.4 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -42.31 -49.66 5.57 Favored Glycine 0 C--N 1.307 -1.052 0 C-N-CA 119.72 -1.229 . . . . 16.66 111.517 -178.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.491 ' C ' ' H ' ' A' ' 39' ' ' GLY . 3.1 ptt180 -76.41 -20.41 57.13 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.033 0.444 . . . . 50.0 109.912 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.943 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 4.5 t -50.95 -28.05 8.94 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.722 -0.844 . . . . 16.66 108.722 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.6 m -117.2 13.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 114.828 -1.078 . . . . 16.66 110.104 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.02 46.71 34.87 Favored Glycine 0 CA--C 1.52 0.4 0 CA-C-N 115.311 -0.859 . . . . 16.66 112.37 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.502 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -114.79 168.04 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.169 0.509 . . . . 16.66 111.303 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.492 ' N ' HG21 ' A' ' 40' ' ' ILE . 29.8 mt -62.01 166.01 5.03 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.344 -0.844 . . . . 50.0 110.934 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.421 ' CA ' HE21 ' A' ' 42' ' ' GLN . 0.6 OUTLIER -79.29 -55.33 5.16 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.113 -0.949 . . . . 25.0 110.762 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 46' ' ' GLU . 47.2 t -66.18 -16.96 64.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.39 -0.823 . . . . 50.0 109.344 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 1.055 ' O ' ' HB ' ' A' ' 48' ' ' ILE . 1.1 mm-40 -44.2 -19.76 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.386 -0.824 . . . . 50.0 110.548 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.907 ' O ' HG21 ' B' ' 3' ' ' THR . . . -74.67 -38.93 62.3 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 120.489 -0.484 . . . . 25.0 110.23 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.634 ' C ' ' H ' ' A' ' 48' ' ' ILE . 85.2 tt0 -87.54 -53.06 5.0 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.99 0.737 . . . . 50.0 112.99 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 44' ' ' GLU . 4.3 pp -66.74 12.49 0.07 Allowed 'General case' 0 CA--C 1.494 -1.205 0 CA-C-N 115.746 -0.661 . . . . 16.66 111.028 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 1.055 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -117.26 150.37 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 119.426 -0.91 . . . . 25.0 113.148 -176.425 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.82 ' H ' HD11 ' A' ' 48' ' ' ILE . 61.3 t0 -169.19 27.78 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.64 -1.164 . . . . 50.0 110.238 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.519 ' H ' HD13 ' A' ' 48' ' ' ILE . 3.1 mt-10 -161.5 14.76 0.1 Allowed 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.137 -1.06 . . . . 50.0 108.137 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.635 ' HH ' ' HA ' ' A' ' 53' ' ' CYS . 2.3 t80 -68.07 147.3 52.55 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 115.135 -0.939 . . . . 16.66 110.7 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.614 HG23 ' HB3' ' A' ' 27' ' ' ASP . 14.3 t -131.65 159.93 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.96 0 CA-C-N 114.61 -1.177 . . . . 50.0 108.601 177.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 1.423 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 8.2 p -80.42 155.64 73.97 Favored Pre-proline 0 N--CA 1.415 -2.213 0 CA-C-O 121.431 0.634 . . . . 16.66 110.117 -178.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -79.1 -23.12 7.99 Favored 'Trans proline' 0 C--N 1.273 -3.402 0 C-N-CA 121.97 1.78 . . . . 16.66 110.874 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -74.19 -38.99 63.47 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.616 -0.883 . . . . 50.0 108.616 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-N 115.292 -0.867 . . . . 16.66 110.757 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 93.1 mtm-85 . . . . . 0 CA--C 1.519 -0.232 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.907 HG21 ' O ' ' A' ' 45' ' ' ALA . 24.5 m . . . . . 0 N--CA 1.452 -0.357 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.351 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.505 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 2.2 m-85 . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 1.4 t -33.14 126.52 0.34 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 114.035 -1.438 . . . . 16.66 113.578 -177.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.694 HG21 ' CD1' ' A' ' 33' ' ' TYR . 27.1 pt -52.79 -6.91 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 CA-C-N 112.234 -2.257 . . . . 50.0 109.106 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.009 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER -90.42 7.92 36.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.199 -1.364 . . . . 16.66 109.27 179.427 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' CYS . 7.9 ptmm? 50.68 70.97 0.46 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 114.566 -1.197 . . . . 25.0 114.219 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.543 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 1.5 p -147.68 122.12 5.03 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 116.703 -0.226 . . . . 50.0 110.688 177.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -48.75 -174.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 123.272 2.648 . . . . 50.0 112.732 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.533 ' CE1' ' CE1' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -77.58 130.77 37.33 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 121.522 0.677 . . . . 50.0 110.868 -179.478 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.78 ' C ' ' H ' ' A' ' 20' ' ' SER . 85.4 m-20 -141.04 116.95 10.44 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.757 -1.11 . . . . 50.0 108.384 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -57.7 8.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.447 -0.575 . . . . 50.0 109.447 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.78 ' H ' ' C ' ' A' ' 18' ' ' ASP . 49.6 m -102.95 -3.64 25.83 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.211 -1.403 . . . . 50.0 107.211 178.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.899 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 5.9 tptt -127.15 131.03 50.83 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 113.326 -1.761 . . . . 50.0 107.299 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 46.7 p90 -110.66 136.89 49.06 Favored 'General case' 0 CA--C 1.496 -1.101 0 CA-C-O 121.937 0.875 . . . . 16.66 110.928 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 43.2 m-85 -111.31 174.47 5.85 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 116.462 2.023 . . . . 50.0 116.462 -175.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.974 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.19 134.51 16.06 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 CA-C-N 109.351 -3.568 . . . . 16.66 106.176 176.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -97.46 122.62 7.52 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 120.803 -0.713 . . . . 16.66 114.13 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 1.316 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 4.7 t -51.61 125.31 14.38 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.853 -0.795 . . . . 16.66 108.853 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.543 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 60.6 t0 -60.62 -37.75 82.46 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.047 -0.661 . . . . 25.0 110.256 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -103.04 -29.89 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.947 -0.57 . . . . 50.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.316 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -88.2 0.12 56.45 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.102 0.477 . . . . 16.66 110.295 -178.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 4.8 pt20 30.68 34.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.255 -0.884 . . . . 16.66 112.218 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.555 ' OD1' ' OH ' ' A' ' 33' ' ' TYR . 21.2 p30 -133.49 170.59 15.28 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 120.511 -0.476 . . . . 50.0 110.989 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.588 ' CD1' ' N ' ' A' ' 32' ' ' TRP . 0.0 OUTLIER -123.82 151.18 43.66 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 116.622 2.082 . . . . 16.66 116.622 -173.53 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.716 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -139.12 158.52 44.04 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 113.589 -1.641 . . . . 50.0 108.909 173.488 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.899 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -71.5 140.37 49.93 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 106.121 -1.807 . . . . 16.66 106.121 176.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.545 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -43.14 -46.11 6.38 Favored Glycine 0 C--N 1.308 -1.005 0 C-N-CA 119.607 -1.282 . . . . 16.66 111.476 -178.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.422 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -79.88 -20.31 46.17 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.597 -0.519 . . . . 50.0 109.597 179.192 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER -51.78 -27.01 10.87 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.893 -0.723 . . . . 16.66 109.102 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.4 m -123.39 10.49 5.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.212 -0.904 . . . . 16.66 110.653 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.36 45.81 36.54 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 115.431 -0.804 . . . . 16.66 112.562 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.545 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -109.7 167.59 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.643 -0.423 . . . . 16.66 110.942 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.542 HD13 ' N ' ' A' ' 41' ' ' LEU . 8.0 mp -60.2 164.62 4.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 50.0 110.232 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.28 -55.54 5.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.591 -178.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.646 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 74.9 m -70.19 -15.95 63.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.384 -0.825 . . . . 50.0 109.245 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.794 ' HA ' HD12 ' A' ' 47' ' ' LEU . 1.1 tm-20 -41.14 -20.1 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.159 -0.928 . . . . 50.0 111.049 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.733 ' O ' HG21 ' B' ' 3' ' ' THR . . . -74.79 -47.36 31.23 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 120.55 -0.46 . . . . 25.0 111.147 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -86.86 -44.51 11.64 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.89 1.07 . . . . 50.0 113.89 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 1.028 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -55.35 -24.48 29.66 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.036 0.384 . . . . 16.66 112.036 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 1.028 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.3 pp -85.87 171.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.589 0.709 . . . . 25.0 109.984 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 56.9 t0 -161.35 12.76 0.09 Allowed 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.642 -1.163 . . . . 50.0 109.115 -178.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -158.28 41.12 0.26 Allowed 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 105.804 -1.924 . . . . 50.0 105.804 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.716 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 63.4 t80 -66.24 146.55 54.48 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 114.418 -1.265 . . . . 16.66 112.063 -177.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.716 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 20.0 t -137.18 156.8 34.45 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 CA-C-N 113.124 -1.853 . . . . 50.0 109.035 178.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 1.234 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 1.6 p -79.25 162.47 63.87 Favored Pre-proline 0 N--CA 1.417 -2.109 0 N-CA-C 108.539 -0.911 . . . . 16.66 108.539 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 17.3 Cg_endo -82.73 -28.84 1.55 Allowed 'Trans proline' 0 C--N 1.277 -3.186 0 C-N-CA 121.672 1.581 . . . . 16.66 111.399 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.406 HE21 ' HA ' ' A' ' 55' ' ' GLN . 1.4 mm-40 -76.08 -28.33 57.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.558 -0.746 . . . . 50.0 109.03 177.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.967 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 15.5 m . . . . . 0 C--N 1.333 -0.124 0 CA-C-N 115.573 -0.74 . . . . 16.66 109.894 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.543 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 23.3 mtm180 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.769 0.318 . . . . 0.0 110.79 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.733 HG21 ' O ' ' A' ' 45' ' ' ALA . 17.2 m . . . . . 0 C--N 1.327 -0.374 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.549 ' CD1' ' HD1' ' A' ' 32' ' ' TRP . 19.2 m-85 . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 121.229 0.538 . . . . 25.0 111.221 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.958 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 8.1 t -36.24 134.92 0.39 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.974 0.892 . . . . 16.66 111.964 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.703 HG23 ' NE2' ' A' ' 55' ' ' GLN . 16.6 pt -51.1 -7.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 113.852 -1.522 . . . . 50.0 108.156 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.958 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -85.72 -25.12 26.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 113.554 -1.657 . . . . 16.66 110.852 -179.572 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.612 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 21.1 mttp 83.31 78.89 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.212 0.449 . . . . 25.0 112.212 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.549 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 43.2 p -148.67 148.54 28.36 Favored Pre-proline 0 N--CA 1.468 0.471 0 C-N-CA 121.126 -0.23 . . . . 50.0 111.479 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -70.18 168.63 21.57 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.965 2.444 . . . . 50.0 111.64 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.504 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 1.1 t80 -72.21 118.82 15.56 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 120.372 -0.531 . . . . 50.0 110.908 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.78 ' C ' ' H ' ' A' ' 20' ' ' SER . 0.5 OUTLIER -121.36 120.61 35.54 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.873 -0.788 . . . . 50.0 108.873 178.025 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.6 5.52 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.897 -0.779 . . . . 50.0 108.897 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.78 ' H ' ' C ' ' A' ' 18' ' ' ASP . 37.2 m -103.19 -14.83 16.21 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 114.83 -1.077 . . . . 50.0 108.183 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.66 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -106.29 130.42 54.14 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 106.805 -1.554 . . . . 50.0 106.805 179.118 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 36.9 p90 -107.97 148.9 29.05 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 108.566 -0.901 . . . . 16.66 108.566 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.55 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 14.8 m-85 -126.99 175.49 8.04 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 124.385 2.04 . . . . 50.0 115.605 -175.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 1.019 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -143.69 128.95 15.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 CA-C-N 109.124 -3.671 . . . . 16.66 105.982 177.524 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.503 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -94.02 123.64 7.55 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.313 -0.946 . . . . 16.66 114.134 -177.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 1.473 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.6 OUTLIER -48.42 108.89 0.19 Allowed 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.283 -1.377 . . . . 16.66 107.283 176.235 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.537 ' HA ' HH12 ' B' ' 2' ' ' ARG . 90.9 m-20 -63.48 -36.43 83.74 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-O 122.18 0.991 . . . . 25.0 108.458 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 -94.34 -37.82 11.29 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 113.594 -1.639 . . . . 50.0 111.014 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.327 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -84.04 -28.33 27.71 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.882 -0.727 . . . . 16.66 110.988 -178.87 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.787 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 79.04 21.48 0.67 Allowed 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.79 1.033 . . . . 16.66 113.79 178.163 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.619 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 26.9 p30 -135.01 170.03 16.53 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 119.23 0.923 . . . . 50.0 112.419 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.549 ' HD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -116.15 147.6 41.21 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 116.145 1.906 . . . . 16.66 116.145 -175.154 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.681 ' CD1' HG21 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -139.05 162.14 35.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.017 -0.992 . . . . 50.0 109.653 173.796 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.66 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -70.89 139.0 50.63 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 106.143 -1.799 . . . . 16.66 106.143 176.715 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -42.2 -47.76 5.48 Favored Glycine 0 C--N 1.306 -1.099 0 C-N-CA 119.627 -1.273 . . . . 16.66 111.627 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' H ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -79.12 -18.01 54.02 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.123 -0.631 . . . . 50.0 109.727 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.958 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 5.6 t -50.43 -30.67 13.09 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.38 -0.928 . . . . 16.66 108.668 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.7 m -116.66 15.02 7.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 114.92 -1.037 . . . . 16.66 110.881 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.22 45.82 59.97 Favored Glycine 0 N--CA 1.461 0.304 0 CA-C-N 115.795 -0.639 . . . . 16.66 111.965 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.502 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -112.32 167.69 5.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.084 0.468 . . . . 16.66 110.967 -179.403 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.493 ' N ' HG21 ' A' ' 40' ' ' ILE . 35.1 mt -62.57 165.81 5.94 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.622 -0.717 . . . . 50.0 110.49 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.412 ' CA ' HE21 ' A' ' 42' ' ' GLN . 0.5 OUTLIER -79.63 -55.23 5.17 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.468 -0.787 . . . . 25.0 110.358 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.593 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 75.7 m -67.33 -16.29 64.17 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.292 -0.867 . . . . 50.0 109.094 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.791 ' HA ' HD12 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -42.46 -20.89 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 115.497 -0.774 . . . . 50.0 110.409 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.904 ' O ' HG21 ' B' ' 3' ' ' THR . . . -70.5 -46.52 63.54 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.923 -0.58 . . . . 25.0 110.871 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' A' ' 47' ' ' LEU . 13.0 pm0 -89.85 -42.61 11.14 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.604 1.335 . . . . 50.0 114.604 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 1.069 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -56.4 -27.08 55.31 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.445 0.906 . . . . 16.66 113.445 -176.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 1.069 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.1 pp -85.47 172.27 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.71 0.767 . . . . 25.0 110.418 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 54.7 t0 -160.97 17.73 0.12 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.326 -1.307 . . . . 50.0 108.969 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -162.28 35.29 0.12 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 114.034 -1.439 . . . . 50.0 107.236 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.637 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 17.2 t80 -66.22 145.71 55.45 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 115.061 -0.972 . . . . 16.66 111.201 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.637 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 16.1 t -135.6 157.57 39.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 CA-C-N 113.717 -1.583 . . . . 50.0 108.565 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 1.473 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.8 p -79.87 158.88 72.29 Favored Pre-proline 0 N--CA 1.411 -2.391 0 CA-C-O 121.321 0.582 . . . . 16.66 109.57 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 18.9 Cg_endo -81.66 -25.33 3.72 Favored 'Trans proline' 0 C--N 1.275 -3.313 0 C-N-CA 121.95 1.767 . . . . 16.66 110.759 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.703 ' NE2' HG23 ' A' ' 12' ' ' ILE . 98.5 mt-30 -70.81 -35.7 72.63 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.201 -1.037 . . . . 50.0 108.201 177.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.402 0 CA-C-N 114.999 -1.0 . . . . 16.66 109.691 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.658 HH22 ' N ' ' A' ' 26' ' ' CYS . 13.8 ttp-105 . . . . . 0 C--O 1.232 0.175 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.904 HG21 ' O ' ' A' ' 45' ' ' ALA . 20.3 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.009 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.503 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 16.5 m-85 . . . . . 0 CA--C 1.53 0.18 0 CA-C-O 121.315 0.578 . . . . 25.0 112.454 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 1.132 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -35.63 131.28 0.51 Allowed 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 122.49 1.138 . . . . 16.66 112.391 -177.742 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.725 HG21 ' CD1' ' A' ' 33' ' ' TYR . 14.2 pt -47.78 -7.41 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 112.703 -2.044 . . . . 50.0 109.827 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.968 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.5 OUTLIER -90.14 12.38 18.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.861 -1.063 . . . . 16.66 109.785 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 11' ' ' CYS . 15.7 pttp 45.73 78.79 0.06 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.369 -0.832 . . . . 25.0 113.22 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.527 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 2.9 p -149.33 144.97 18.49 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-N 116.501 -0.318 . . . . 50.0 110.948 178.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -70.66 170.41 17.72 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 123.013 2.475 . . . . 50.0 112.274 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.596 ' HD1' ' H ' ' A' ' 18' ' ' ASP . 0.8 OUTLIER -67.07 134.69 52.36 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.425 0.631 . . . . 50.0 110.565 -179.544 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.777 ' C ' ' H ' ' A' ' 20' ' ' SER . 62.1 m-20 -140.21 113.99 8.81 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.018 -0.992 . . . . 50.0 108.887 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -57.03 7.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.248 0.547 . . . . 50.0 109.999 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.777 ' H ' ' C ' ' A' ' 18' ' ' ASP . 25.2 m -107.05 1.02 24.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.079 -1.082 . . . . 50.0 108.079 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.897 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 1.6 tptm -125.74 132.09 52.41 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.009 -1.451 . . . . 50.0 108.118 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 41.9 p90 -105.83 146.91 29.28 Favored 'General case' 0 CA--C 1.496 -1.102 0 C-N-CA 120.008 -0.677 . . . . 16.66 110.18 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 51.9 m-85 -123.91 173.87 7.93 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 124.045 1.879 . . . . 50.0 115.972 -175.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.999 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -143.44 130.56 17.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 CA-C-N 109.833 -3.349 . . . . 16.66 106.389 176.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -91.54 124.31 7.56 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 120.316 -0.945 . . . . 16.66 113.92 -177.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 1.457 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.4 t -48.98 110.35 0.35 Allowed 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.078 -1.082 . . . . 16.66 108.078 176.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.629 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 58.0 t0 -62.65 -35.7 80.48 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.308 0.575 . . . . 25.0 110.02 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.67 -25.15 13.66 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.109 -0.95 . . . . 50.0 110.299 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.331 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -91.17 -28.25 17.98 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 119.891 -0.724 . . . . 16.66 110.036 179.148 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.778 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 76.79 21.41 1.22 Allowed 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.303 0.853 . . . . 16.66 113.303 178.718 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.579 ' H ' ' CB ' ' A' ' 26' ' ' CYS . 26.0 p30 -135.03 172.07 13.53 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 118.972 0.805 . . . . 50.0 112.811 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.503 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -114.76 149.7 36.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 117.327 2.343 . . . . 16.66 117.327 -173.728 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.73 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -139.93 154.13 47.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.139 -1.391 . . . . 50.0 109.8 172.36 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.897 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -67.53 141.59 56.83 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 105.303 -2.11 . . . . 16.66 105.303 176.155 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.545 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -42.37 -56.41 4.1 Favored Glycine 0 C--N 1.31 -0.899 0 C-N-CA 119.482 -1.342 . . . . 16.66 111.9 -177.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.475 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -73.88 -18.14 60.96 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.155 -0.618 . . . . 50.0 110.038 179.528 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 1.132 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.8 t -50.51 -29.19 9.96 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.387 -0.968 . . . . 16.66 108.387 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 m -119.09 9.41 6.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.12 -0.945 . . . . 16.66 110.73 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 74.9 45.9 19.22 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 121.209 -0.519 . . . . 16.66 112.194 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.545 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -112.75 167.89 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.844 0.354 . . . . 16.66 110.825 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 41' ' ' LEU . 3.4 mm? -60.5 164.77 4.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.364 0.602 . . . . 50.0 110.346 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.1 -55.59 5.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.493 -0.776 . . . . 25.0 110.359 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.59 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 58.1 m -70.03 -15.24 62.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.376 -0.829 . . . . 50.0 109.327 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.756 ' HA ' HD12 ' A' ' 47' ' ' LEU . 1.1 tm-20 -41.8 -20.93 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.352 -0.84 . . . . 50.0 110.953 -178.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.741 ' O ' HG21 ' B' ' 3' ' ' THR . . . -71.53 -47.13 57.15 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 120.639 -0.424 . . . . 25.0 110.82 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -88.24 -43.92 11.23 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.48 1.289 . . . . 50.0 114.48 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 1.04 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -55.5 -25.34 36.64 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.885 0.698 . . . . 16.66 112.885 -177.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 1.04 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.0 pp -85.62 172.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.683 0.754 . . . . 25.0 110.328 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -161.47 20.21 0.12 Allowed 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.319 -1.31 . . . . 50.0 109.086 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' A' ' 50' ' ' GLU . 1.6 pp20? -166.16 35.04 0.05 OUTLIER 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 106.821 -1.548 . . . . 50.0 106.821 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.665 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 20.8 t80 -66.4 146.63 54.35 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 114.937 -1.028 . . . . 16.66 111.374 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.665 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 14.5 t -137.31 159.79 35.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 113.554 -1.657 . . . . 50.0 108.875 177.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 1.457 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.4 p -80.66 158.05 71.42 Favored Pre-proline 0 N--CA 1.416 -2.147 0 CA-C-O 121.355 0.598 . . . . 16.66 109.712 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 19.1 Cg_endo -82.18 -23.79 4.2 Favored 'Trans proline' 0 C--N 1.276 -3.274 0 C-N-CA 121.877 1.718 . . . . 16.66 110.905 -179.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -74.75 -37.48 62.47 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.878 -0.786 . . . . 50.0 108.878 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 1.142 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-N 115.72 -0.673 . . . . 16.66 110.109 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.629 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 13.5 ptt-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.216 0.531 . . . . 0.0 110.784 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.808 ' HG1' ' CD1' ' A' ' 48' ' ' ILE . 31.4 m . . . . . 0 C--N 1.329 -0.293 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.539 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 16.6 m-85 . . . . . 0 N--CA 1.448 -0.567 0 CA-C-O 121.229 0.538 . . . . 25.0 110.789 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 1.117 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -37.09 132.68 0.7 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 122.427 1.108 . . . . 16.66 111.868 -178.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.715 HG21 ' CD1' ' A' ' 33' ' ' TYR . 21.0 pt -46.15 -6.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-N 112.721 -2.036 . . . . 50.0 110.202 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.98 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -85.26 -28.39 25.37 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.271 -0.877 . . . . 16.66 110.724 179.459 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.596 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 93.2 mttt 84.28 78.42 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.192 0.442 . . . . 25.0 112.192 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.715 ' HG1' ' HD2' ' A' ' 16' ' ' PRO . 0.5 OUTLIER -152.45 147.09 18.97 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 120.966 -0.294 . . . . 50.0 111.184 178.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.715 ' HD2' ' HG1' ' A' ' 15' ' ' THR . 18.8 Cg_endo -60.13 153.66 57.03 Favored 'Trans proline' 0 N--CA 1.504 2.135 0 C-N-CA 123.594 2.862 . . . . 50.0 112.509 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.539 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 1.8 t80 -67.69 124.06 22.22 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.04 0.448 . . . . 50.0 109.974 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.617 ' C ' ' H ' ' A' ' 20' ' ' SER . 63.5 t0 -133.86 133.36 41.44 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.59 -0.732 . . . . 50.0 110.232 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.18 1.53 0.46 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.669 -0.696 . . . . 50.0 109.179 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.617 ' H ' ' C ' ' A' ' 18' ' ' ASP . 73.2 m -96.81 -7.62 33.18 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 107.791 -1.189 . . . . 50.0 107.791 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.873 ' HZ1' HH11 ' A' ' 36' ' ' ARG . 5.4 tptp -123.55 131.41 53.62 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 113.451 -1.704 . . . . 50.0 107.224 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 44.6 p90 -109.6 138.99 45.16 Favored 'General case' 0 CA--C 1.495 -1.136 0 C-N-CA 119.818 -0.753 . . . . 16.66 110.478 -179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.65 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 12.1 m-85 -116.27 173.97 6.3 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-O 123.901 1.81 . . . . 50.0 115.294 -176.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 1.013 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -145.59 133.17 15.73 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 CA-C-N 110.074 -3.239 . . . . 16.66 107.203 178.125 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -92.76 127.31 8.93 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 120.568 -0.825 . . . . 16.66 113.929 -178.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 1.316 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 7.9 t -58.4 114.31 2.38 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.67 0.788 . . . . 16.66 108.927 177.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.577 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 59.3 t0 -50.86 -34.4 27.91 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.335 -0.546 . . . . 25.0 110.83 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.5 -35.26 7.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.493 -0.321 . . . . 50.0 110.765 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.316 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -83.43 -0.12 48.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.105 0.478 . . . . 16.66 110.39 -178.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 4.2 pt20 33.21 33.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.964 -1.016 . . . . 16.66 112.948 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.492 ' OD1' ' OH ' ' A' ' 33' ' ' TYR . 20.6 p30 -133.34 169.83 16.35 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 120.279 -0.568 . . . . 50.0 110.899 178.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.526 ' HA ' ' O ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -121.93 149.11 43.9 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 116.172 1.915 . . . . 16.66 116.172 -174.448 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.747 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -135.62 158.22 44.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.713 -1.13 . . . . 50.0 110.014 173.828 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.881 ' ND1' ' SG ' ' A' ' 37' ' ' CYS . 1.4 m80 -70.31 138.95 51.94 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 105.577 -2.009 . . . . 16.66 105.577 176.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.5 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -45.5 -42.39 9.89 Favored Glycine 0 C--N 1.303 -1.263 0 C-N-CA 119.126 -1.511 . . . . 16.66 111.157 -178.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.873 HH11 ' HZ1' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -80.52 -20.61 43.16 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.299 -0.561 . . . . 50.0 109.568 179.069 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 1.117 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.5 OUTLIER -53.61 -25.71 18.76 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.744 -0.835 . . . . 16.66 108.744 179.613 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.3 m -125.57 9.42 4.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.225 -0.898 . . . . 16.66 111.132 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.21 45.98 37.07 Favored Glycine 0 N--CA 1.462 0.419 0 CA-C-N 115.998 -0.546 . . . . 16.66 112.497 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.52 HG12 ' OE1' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -108.15 166.91 4.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 110.238 -0.282 . . . . 16.66 110.238 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.756 ' N ' ' OE1' ' A' ' 44' ' ' GLU . 9.3 mp -60.37 164.43 4.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.219 0.533 . . . . 50.0 109.867 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.47 -56.18 4.64 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.442 -0.799 . . . . 25.0 111.166 -178.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.593 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 73.5 m -71.43 -15.41 62.34 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.708 . . . . 50.0 109.277 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.819 ' HA ' HD12 ' A' ' 47' ' ' LEU . 2.5 tt0 -42.97 -19.4 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 115.467 -0.788 . . . . 50.0 111.105 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.765 ' O ' HG21 ' B' ' 3' ' ' THR . . . -68.6 -50.1 54.19 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.529 -0.468 . . . . 25.0 110.959 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -87.8 -44.43 11.12 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.417 1.265 . . . . 50.0 114.417 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 1.08 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -55.04 -23.97 22.57 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.528 0.566 . . . . 16.66 112.528 -177.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 1.08 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.3 pp -85.8 171.82 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.504 0.668 . . . . 25.0 110.102 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -161.1 8.54 0.08 Allowed 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.67 -1.15 . . . . 50.0 109.456 -178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -149.69 36.15 0.71 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 106.564 -1.643 . . . . 50.0 106.564 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.648 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 55.9 t80 -66.97 145.57 55.28 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.536 -1.211 . . . . 16.66 112.495 -177.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.648 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 9.2 t -138.51 157.72 30.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 113.137 -1.847 . . . . 50.0 108.643 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 1.233 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 1.4 p -75.61 160.52 79.08 Favored Pre-proline 0 N--CA 1.413 -2.303 0 N-CA-C 108.356 -0.979 . . . . 16.66 108.356 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 26.4 Cg_endo -81.17 -25.19 4.12 Favored 'Trans proline' 0 C--N 1.275 -3.321 0 C-N-CA 121.735 1.623 . . . . 16.66 111.577 -178.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -78.84 -29.11 44.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.249 -1.019 . . . . 50.0 108.249 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 1.044 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 38.4 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 114.351 -1.295 . . . . 16.66 110.314 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.577 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 4.4 ptt85 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.22 0.533 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.765 HG21 ' O ' ' A' ' 45' ' ' ALA . 17.3 m . . . . . 0 C--N 1.327 -0.374 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.488 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 10.4 m-85 . . . . . 0 N--CA 1.449 -0.52 0 CA-C-O 121.001 0.429 . . . . 25.0 110.952 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 1.083 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -37.93 132.45 0.96 Allowed 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 122.318 1.056 . . . . 16.66 111.747 -178.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.76 HG21 ' CD1' ' A' ' 33' ' ' TYR . 19.6 pt -47.79 -6.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 CA-C-N 113.05 -1.886 . . . . 50.0 110.205 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.015 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -81.26 -27.45 35.16 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.169 -0.923 . . . . 16.66 110.652 179.444 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 22.9 mtmm 85.95 78.78 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.662 ' HG1' ' HE2' ' A' ' 34' ' ' HIS . 19.5 p -156.03 148.62 17.89 Favored Pre-proline 0 N--CA 1.468 0.433 0 CA-C-O 120.629 0.252 . . . . 50.0 110.96 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.07 166.4 25.01 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 123.114 2.542 . . . . 50.0 112.166 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.592 ' HD1' ' H ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -65.14 135.75 55.86 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.397 0.618 . . . . 50.0 110.496 -179.353 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.776 ' C ' ' H ' ' A' ' 20' ' ' SER . 83.8 m-20 -139.4 114.51 9.58 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 114.825 -1.079 . . . . 50.0 108.761 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -55.99 4.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.206 0.526 . . . . 50.0 109.637 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.776 ' H ' ' C ' ' A' ' 18' ' ' ASP . 15.1 m -102.38 -6.19 23.29 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.633 -0.877 . . . . 50.0 108.633 178.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.726 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 2.4 tptm -120.08 134.12 55.34 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 114.71 -1.132 . . . . 50.0 108.277 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.714 ' CZ ' ' NE2' ' A' ' 42' ' ' GLN . 51.3 p90 -109.47 141.25 42.18 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.751 -0.658 . . . . 16.66 109.671 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.622 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 7.0 m-85 -119.01 175.66 5.66 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 123.939 1.828 . . . . 50.0 114.851 -176.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 1.029 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -142.9 122.57 9.27 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 CA-C-N 110.153 -3.203 . . . . 16.66 108.012 178.227 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -93.22 120.5 6.24 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 110.727 -0.949 . . . . 16.66 110.727 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 1.373 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -82.25 113.99 20.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.802 0.811 . . . . 16.66 110.0 -179.365 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.477 ' HB2' HH11 ' A' ' 28' ' ' ARG . 93.2 m-20 -39.21 -39.4 0.61 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.179 -1.373 . . . . 25.0 114.005 -176.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.638 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -102.59 -9.51 20.07 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.285 -0.566 . . . . 50.0 110.689 -179.069 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.44 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -100.6 -3.48 30.4 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.802 -0.814 . . . . 16.66 108.802 179.714 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.601 ' C ' HH22 ' B' ' 2' ' ' ARG . 0.1 OUTLIER 37.31 16.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.251 -1.341 . . . . 16.66 113.653 177.331 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.822 ' N ' HH22 ' B' ' 2' ' ' ARG . 0.0 OUTLIER -134.17 168.88 18.05 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 119.175 -1.01 . . . . 50.0 112.283 -179.854 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.583 ' CZ3' ' NH1' ' B' ' 2' ' ' ARG . 0.0 OUTLIER -115.29 143.74 44.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 114.731 1.382 . . . . 16.66 114.731 -175.126 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.796 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -130.47 148.91 52.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.895 -0.593 . . . . 50.0 111.011 175.504 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.9 ' ND1' ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -62.79 141.44 58.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 104.869 -2.271 . . . . 16.66 104.869 175.496 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.518 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -42.01 -59.47 2.91 Favored Glycine 0 C--N 1.31 -0.894 0 C-N-CA 119.491 -1.337 . . . . 16.66 111.862 -177.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.43 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -69.34 -19.97 63.86 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.498 -0.481 . . . . 50.0 110.56 179.797 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 1.083 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.2 t -50.72 -30.87 14.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 119.555 -0.858 . . . . 16.66 108.927 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.6 m -116.87 10.89 7.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.298 -0.864 . . . . 16.66 110.753 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 74.13 45.53 25.26 Favored Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.8 -0.637 . . . . 16.66 112.176 178.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.518 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -114.59 167.12 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.139 0.495 . . . . 16.66 111.037 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.547 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 76.4 mt -65.08 165.87 10.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.435 -0.802 . . . . 50.0 111.36 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.817 HE21 ' C ' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -79.09 -56.49 4.33 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.91 -1.041 . . . . 25.0 109.944 -179.712 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.681 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 41.6 m -59.11 -27.89 66.01 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.168 -0.924 . . . . 50.0 109.026 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.868 ' HA ' HD12 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -42.1 -19.15 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 114.698 -1.137 . . . . 50.0 111.315 -177.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.936 ' O ' HG21 ' B' ' 3' ' ' THR . . . -69.06 -54.06 17.06 Favored 'General case' 0 C--N 1.31 -1.119 0 C-N-CA 120.227 -0.589 . . . . 25.0 110.337 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -88.4 -43.4 11.52 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 115.017 1.488 . . . . 50.0 115.017 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 1.11 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.5 pp -55.57 -26.14 41.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.331 0.863 . . . . 16.66 113.331 -176.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 1.11 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.4 pp -85.48 171.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.775 0.797 . . . . 25.0 110.109 -179.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 51.1 t0 -160.81 10.46 0.09 Allowed 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 114.346 -1.297 . . . . 50.0 108.923 -178.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.434 ' H ' ' H ' ' A' ' 49' ' ' ASP . 1.4 tm-20 -151.42 35.27 0.57 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 113.974 -1.466 . . . . 50.0 107.263 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.704 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 21.8 t80 -66.79 148.47 51.89 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.181 -0.918 . . . . 16.66 111.298 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.704 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 13.1 t -137.96 159.49 33.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.083 -1.417 . . . . 50.0 110.561 178.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 1.44 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -72.57 163.16 69.95 Favored Pre-proline 0 CA--C 1.481 -1.678 0 N-CA-C 108.458 -0.942 . . . . 16.66 108.458 -179.487 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -82.33 -23.98 3.98 Favored 'Trans proline' 0 C--N 1.262 -3.996 0 C-N-CA 121.348 1.366 . . . . 16.66 109.313 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -88.86 -57.99 2.71 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.763 -1.108 . . . . 50.0 110.751 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 1.301 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 27.5 p . . . . . 0 N--CA 1.465 0.28 0 N-CA-C 113.12 0.785 . . . . 16.66 113.12 -178.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.822 HH22 ' N ' ' A' ' 31' ' ' ASN . 31.8 ptt85 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 121.149 0.5 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.936 HG21 ' O ' ' A' ' 45' ' ' ALA . 18.5 m . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.142 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 43.2 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.348 0.594 . . . . 25.0 111.92 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 1.098 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -37.26 137.92 0.34 Allowed 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 122.53 1.157 . . . . 16.66 112.526 -178.193 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.768 HG21 ' CD1' ' A' ' 33' ' ' TYR . 18.3 pt -46.91 -6.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 CA-C-N 112.79 -2.005 . . . . 50.0 110.506 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.949 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -83.89 -31.19 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.402 -0.817 . . . . 16.66 110.641 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.707 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 10.0 pttt 89.33 80.26 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.632 0.729 . . . . 25.0 111.531 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.507 HG22 ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -155.35 140.21 12.04 Favored Pre-proline 0 CA--C 1.539 0.53 0 O-C-N 121.903 -0.498 . . . . 50.0 111.195 -179.489 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.507 ' HD2' HG22 ' A' ' 15' ' ' THR . 21.1 Cg_endo -62.51 168.29 10.07 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 122.408 2.072 . . . . 50.0 111.488 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.705 ' HE1' ' HE1' ' A' ' 23' ' ' TYR . 1.5 t80 -73.83 133.26 43.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.58 0.705 . . . . 50.0 111.955 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.553 ' H ' ' HD1' ' A' ' 17' ' ' TYR . 48.8 t0 -140.39 144.21 36.09 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.418 -1.265 . . . . 50.0 108.681 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.75 9.28 1.52 Allowed 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.394 -0.523 . . . . 50.0 109.708 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.53 ' H ' ' C ' ' A' ' 18' ' ' ASP . 54.7 p -96.21 -1.09 48.94 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.962 -0.755 . . . . 50.0 108.962 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.707 ' HG3' ' OH ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -130.51 139.69 50.5 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 114.744 -1.116 . . . . 50.0 108.968 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 45' ' ' ALA . 49.0 p90 -115.4 135.95 53.59 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 107.415 -1.328 . . . . 16.66 107.415 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.707 ' OH ' ' HG3' ' A' ' 21' ' ' LYS . 6.1 m-85 -111.4 174.04 6.06 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-O 124.173 1.94 . . . . 50.0 115.699 -175.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 1.062 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -143.11 125.21 12.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 CA-C-N 109.446 -3.524 . . . . 16.66 108.429 178.673 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.533 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -91.36 117.67 5.24 Favored Glycine 0 CA--C 1.533 1.182 0 N-CA-C 111.522 -0.631 . . . . 16.66 111.522 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 1.349 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 1.7 t -70.04 124.37 23.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.298 0.57 . . . . 16.66 109.975 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -44.66 -47.92 10.54 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.715 1.006 . . . . 25.0 113.715 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.446 ' HB3' HH11 ' A' ' 28' ' ' ARG . 0.0 OUTLIER -99.57 -31.7 11.47 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.396 -0.522 . . . . 50.0 111.094 -178.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.375 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -77.85 0.18 24.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.981 -1.118 . . . . 16.66 107.981 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.499 ' HA ' ' CZ ' ' B' ' 2' ' ' ARG . 5.1 pt20 30.67 23.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 112.85 -1.977 . . . . 16.66 115.593 177.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.675 ' H ' HD21 ' A' ' 31' ' ' ASN . 0.0 OUTLIER -135.17 170.29 16.14 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 119.457 1.026 . . . . 50.0 112.349 178.593 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.62 ' CZ3' ' NH1' ' B' ' 2' ' ' ARG . 0.0 OUTLIER -108.61 147.8 31.29 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 115.395 1.628 . . . . 16.66 115.395 -175.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.798 ' OH ' ' HB3' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -128.65 150.65 50.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.473 -0.785 . . . . 50.0 109.291 174.097 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.859 ' ND1' ' SG ' ' A' ' 37' ' ' CYS . 1.5 m80 -62.71 148.06 47.74 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 105.12 -2.178 . . . . 16.66 105.12 176.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' HA3' ' CZ ' ' A' ' 22' ' ' PHE . . . -48.38 -54.08 14.07 Favored Glycine 0 C--N 1.303 -1.263 0 C-N-CA 119.042 -1.551 . . . . 16.66 111.909 -178.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -18.18 58.96 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.427 -0.509 . . . . 50.0 110.45 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 1.098 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -50.18 -33.08 17.98 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 119.145 -1.022 . . . . 16.66 108.532 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 m -119.06 20.8 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.148 -0.933 . . . . 16.66 110.839 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.4 46.37 93.12 Favored Glycine 0 N--CA 1.465 0.576 0 CA-C-N 115.635 -0.712 . . . . 16.66 111.58 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.444 HG21 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -102.66 167.61 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.292 0.567 . . . . 16.66 112.156 -178.54 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.722 HD23 ' N ' ' A' ' 41' ' ' LEU . 2.1 mm? -62.95 165.53 6.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.163 -0.926 . . . . 50.0 110.866 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.14 -54.79 5.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.601 -0.727 . . . . 25.0 109.866 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 45' ' ' ALA . 4.9 t -69.34 -15.1 63.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.938 -1.028 . . . . 50.0 109.741 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.83 ' HA ' HD12 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -42.39 -19.07 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.702 -0.681 . . . . 50.0 110.641 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.843 ' O ' HG21 ' B' ' 3' ' ' THR . . . -83.01 -41.97 18.07 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.473 -0.491 . . . . 25.0 111.226 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.592 ' C ' ' H ' ' A' ' 48' ' ' ILE . 69.5 tt0 -87.67 -53.82 4.58 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.834 1.05 . . . . 50.0 113.834 -178.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.83 HD12 ' HA ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -71.56 15.06 0.15 Allowed 'General case' 0 CA--C 1.492 -1.263 0 CA-C-O 121.064 0.459 . . . . 16.66 110.745 -179.072 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.829 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.4 OUTLIER -116.59 149.76 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.541 0 CA-C-N 115.472 -0.786 . . . . 25.0 112.94 -176.773 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.786 ' H ' HD11 ' A' ' 48' ' ' ILE . 58.6 t0 -154.07 -18.63 0.13 Allowed 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.406 -1.27 . . . . 50.0 110.224 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.411 ' H ' ' H ' ' A' ' 49' ' ' ASP . 88.7 mt-10 -119.26 26.19 9.62 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.883 -0.599 . . . . 50.0 110.173 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.542 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 35.9 t80 -67.16 146.94 53.72 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 119.934 -0.706 . . . . 16.66 110.064 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.542 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 3.2 t -135.99 152.24 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 115.399 -0.818 . . . . 50.0 110.211 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 1.375 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -67.23 163.2 48.18 Favored Pre-proline 0 CA--C 1.479 -1.779 0 CA-C-N 115.497 -0.774 . . . . 16.66 109.492 -178.793 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -82.61 -16.35 7.98 Favored 'Trans proline' 0 C--N 1.266 -3.813 0 C-N-CA 121.659 1.573 . . . . 16.66 108.535 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -87.43 -56.41 3.37 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 114.148 -1.387 . . . . 50.0 110.524 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 1.323 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER . . . . . 0 CA--C 1.531 0.245 0 C-N-CA 120.027 -0.669 . . . . 16.66 111.108 -179.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.62 ' NH1' ' CZ3' ' A' ' 32' ' ' TRP . 25.9 mtm105 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.516 0.198 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.843 HG21 ' O ' ' A' ' 45' ' ' ALA . 33.4 m . . . . . 0 C--N 1.326 -0.456 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.473 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.656 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 10.0 m-85 . . . . . 0 CA--C 1.53 0.18 0 N-CA-C 112.517 0.562 . . . . 25.0 112.517 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 22.5 t -35.5 136.16 0.23 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.97 0.89 . . . . 16.66 112.231 -178.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.76 HG21 ' CD2' ' A' ' 33' ' ' TYR . 22.2 pt -53.34 -7.13 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 113.805 -1.543 . . . . 50.0 107.669 177.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.993 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -87.53 -18.51 29.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.126 -1.852 . . . . 16.66 110.81 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 44.6 mtpt 77.76 79.13 0.07 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.445 -0.343 . . . . 25.0 111.923 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.875 ' HG1' ' HE2' ' A' ' 34' ' ' HIS . 24.8 p -148.3 150.7 35.27 Favored Pre-proline 0 N--CA 1.468 0.428 0 CA-C-O 120.699 0.285 . . . . 50.0 111.761 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.94 170.95 18.91 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 123.094 2.529 . . . . 50.0 111.896 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.656 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 1.0 OUTLIER -77.04 131.7 38.56 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 121.481 0.658 . . . . 50.0 110.731 -179.31 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.75 ' C ' ' H ' ' A' ' 20' ' ' SER . 78.6 m-20 -140.89 120.09 12.93 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 114.835 -1.075 . . . . 50.0 109.263 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.55 4.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.398 0.618 . . . . 50.0 109.373 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.75 ' H ' ' C ' ' A' ' 18' ' ' ASP . 62.0 m -98.21 -23.75 15.56 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 107.636 -1.246 . . . . 50.0 107.636 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.681 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -99.54 129.92 45.74 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 106.342 -1.725 . . . . 50.0 106.342 178.347 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 19.5 p90 -105.27 146.85 28.76 Favored 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 119.784 -0.767 . . . . 16.66 109.433 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.538 ' CE1' ' CE1' ' A' ' 17' ' ' TYR . 75.9 m-85 -124.27 171.95 9.47 Favored 'General case' 0 N--CA 1.433 -1.297 0 N-CA-C 116.762 2.134 . . . . 50.0 116.762 -174.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.953 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.15 129.22 9.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 109.168 -3.651 . . . . 16.66 106.333 177.034 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -95.46 124.25 7.93 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.587 -0.816 . . . . 16.66 113.972 -177.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 1.483 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.6 OUTLIER -48.94 113.36 0.77 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 107.782 -1.192 . . . . 16.66 107.782 176.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.514 ' CG ' ' O ' ' A' ' 51' ' ' TYR . 88.6 m-20 -62.97 -38.4 90.96 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 121.746 0.784 . . . . 25.0 109.083 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -97.18 -36.73 10.35 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.291 -1.322 . . . . 50.0 110.875 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.309 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -79.61 -28.24 40.98 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.032 -0.667 . . . . 16.66 110.516 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.779 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 73.56 23.55 2.42 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.343 0.868 . . . . 16.66 113.343 178.702 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.585 ' OD1' ' OH ' ' A' ' 33' ' ' TYR . 4.6 p30 -134.84 171.36 14.5 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 121.53 -0.731 . . . . 50.0 112.449 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.48 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -118.3 148.47 42.42 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 116.754 2.131 . . . . 16.66 116.754 -174.228 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.76 ' CD2' HG21 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -140.22 162.44 35.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.118 -1.401 . . . . 50.0 109.66 174.162 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.875 ' HE2' ' HG1' ' A' ' 15' ' ' THR . 0.2 OUTLIER -72.73 138.61 46.66 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 105.28 -2.119 . . . . 16.66 105.28 176.331 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.537 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -42.09 -45.2 4.97 Favored Glycine 0 C--N 1.307 -1.057 0 C-N-CA 119.23 -1.462 . . . . 16.66 111.642 -177.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.432 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.9 OUTLIER -79.12 -19.49 50.99 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.312 -0.555 . . . . 50.0 109.772 179.34 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.993 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.4 t -51.42 -27.77 11.08 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 108.463 -0.94 . . . . 16.66 108.463 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.8 m -119.98 14.27 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 114.9 -1.045 . . . . 16.66 111.037 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 69.72 46.57 53.25 Favored Glycine 0 N--CA 1.462 0.405 0 CA-C-N 115.982 -0.554 . . . . 16.66 112.12 178.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.727 HG12 ' HE2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -115.71 166.12 10.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 110.263 -0.273 . . . . 16.66 110.263 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.789 ' N ' ' OE2' ' A' ' 44' ' ' GLU . 9.1 mp -61.25 164.38 5.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.277 0.561 . . . . 50.0 109.976 178.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.51 -56.45 4.42 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.505 -0.771 . . . . 25.0 111.126 -178.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.541 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 68.3 m -70.08 -15.43 62.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.973 -0.751 . . . . 50.0 108.973 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.817 ' HA ' HD12 ' A' ' 47' ' ' LEU . 2.4 tt0 -43.27 -18.84 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.329 -0.851 . . . . 50.0 111.361 -178.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.759 ' O ' HG21 ' B' ' 3' ' ' THR . . . -70.78 -46.28 63.2 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 120.319 -0.552 . . . . 25.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -87.67 -45.38 10.44 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.142 1.164 . . . . 50.0 114.142 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 1.053 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -55.34 -24.48 29.46 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.086 0.402 . . . . 16.66 112.086 -177.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 1.053 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.3 pp -85.49 171.97 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.366 0.603 . . . . 25.0 109.452 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.447 ' O ' ' OD2' ' A' ' 49' ' ' ASP . 51.0 t0 -158.88 15.97 0.18 Allowed 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.976 -1.011 . . . . 50.0 109.688 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -160.41 36.84 0.17 Allowed 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 107.254 -1.387 . . . . 50.0 107.254 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.68 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 19.9 t80 -67.09 146.79 53.92 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 114.981 -1.009 . . . . 16.66 111.155 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.68 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 13.0 t -137.31 159.21 35.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 113.624 -1.625 . . . . 50.0 108.457 177.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 1.483 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.9 p -80.35 159.44 69.99 Favored Pre-proline 0 N--CA 1.413 -2.305 0 CA-C-O 121.546 0.689 . . . . 16.66 109.904 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.496 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 20.1 Cg_endo -80.37 -25.04 4.97 Favored 'Trans proline' 0 C--N 1.275 -3.312 0 C-N-CA 121.974 1.782 . . . . 16.66 110.241 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.59 -34.44 72.17 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.817 -1.179 . . . . 50.0 107.817 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 1.18 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-N 114.919 -1.037 . . . . 16.66 109.93 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' A' ' 26' ' ' CYS . 11.7 ttm105 . . . . . 0 C--O 1.231 0.085 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.759 HG21 ' O ' ' A' ' 45' ' ' ALA . 17.3 m . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.197 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.495 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 16.6 m-85 . . . . . 0 CA--C 1.531 0.247 0 CA-C-O 121.659 0.742 . . . . 25.0 111.067 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.992 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -32.83 122.49 0.36 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.535 -1.211 . . . . 16.66 112.176 -179.324 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.751 HG21 ' CD1' ' A' ' 33' ' ' TYR . 22.6 pt -47.49 -6.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 113.15 -1.841 . . . . 50.0 109.692 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.949 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -86.67 -3.37 59.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.49 -1.232 . . . . 16.66 110.045 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 11' ' ' CYS . 44.5 mtpt 67.56 72.69 0.33 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.797 -0.638 . . . . 25.0 112.053 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.5 p -146.9 143.09 17.86 Favored Pre-proline 0 CA--C 1.533 0.322 0 C-N-CA 121.008 -0.277 . . . . 50.0 111.273 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.05 169.1 23.21 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.995 2.464 . . . . 50.0 111.499 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.493 ' HD1' ' H ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -65.77 129.53 40.09 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 121.45 0.643 . . . . 50.0 110.508 -179.47 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.738 ' C ' ' H ' ' A' ' 20' ' ' SER . 89.6 m-20 -140.48 119.03 12.27 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 114.806 -1.088 . . . . 50.0 108.959 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -56.2 3.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.376 -0.602 . . . . 50.0 109.376 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.738 ' H ' ' C ' ' A' ' 18' ' ' ASP . 66.9 m -95.47 -25.25 16.31 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 107.962 -1.125 . . . . 50.0 107.962 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.663 ' NZ ' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -99.1 131.49 45.1 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.012 -1.449 . . . . 50.0 107.464 178.523 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 52.4 p90 -108.14 135.45 49.47 Favored 'General case' 0 CA--C 1.498 -1.05 0 C-N-CA 119.53 -0.868 . . . . 16.66 110.033 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.518 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 72.2 m-85 -110.13 173.16 6.45 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 117.268 2.321 . . . . 50.0 117.268 -174.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.92 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -148.24 128.66 4.81 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 CA-C-N 109.202 -3.635 . . . . 16.66 106.602 177.375 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.521 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -89.57 125.62 7.91 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 120.913 -0.66 . . . . 16.66 114.354 -177.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 1.468 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -53.04 110.28 0.51 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.197 -1.409 . . . . 16.66 107.197 176.224 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.623 ' H ' ' HA ' ' A' ' 52' ' ' VAL . 60.3 t0 -60.83 -37.8 83.26 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.54 0.686 . . . . 25.0 109.482 -178.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.415 ' HG3' ' HB3' ' A' ' 56' ' ' CYS . 0.2 OUTLIER -97.77 -38.47 9.46 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 114.677 -1.147 . . . . 50.0 110.466 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.305 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.54 -28.24 51.88 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.041 -0.664 . . . . 16.66 110.406 -179.496 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.744 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER 75.56 21.39 1.75 Allowed 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.098 0.777 . . . . 16.66 113.098 178.773 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.601 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 25.8 p30 -135.14 172.07 13.53 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 118.76 0.709 . . . . 50.0 112.316 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.495 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -118.67 149.18 41.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 116.41 2.004 . . . . 16.66 116.41 -174.417 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.751 ' CD1' HG21 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -136.77 161.84 34.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.66 -1.154 . . . . 50.0 108.319 173.178 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.886 ' ND1' ' SG ' ' A' ' 37' ' ' CYS . 22.5 p-80 -82.68 141.33 32.53 Favored 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 106.036 -1.839 . . . . 16.66 106.036 176.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.496 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -40.11 -49.61 3.55 Favored Glycine 0 C--N 1.304 -1.22 0 C-N-CA 119.983 -1.103 . . . . 16.66 113.691 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.661 ' N ' ' CD ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -74.37 -20.41 60.09 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 117.878 0.839 . . . . 50.0 109.414 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.992 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -51.17 -29.99 15.48 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.385 -0.825 . . . . 16.66 108.78 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.27 13.78 4.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.147 -0.933 . . . . 16.66 110.884 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 67.14 45.75 78.65 Favored Glycine 0 N--CA 1.461 0.308 0 CA-C-N 115.639 -0.709 . . . . 16.66 112.055 178.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.496 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -107.55 167.63 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.933 0.396 . . . . 16.66 110.854 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.612 HD13 ' N ' ' A' ' 41' ' ' LEU . 7.7 mp -61.35 164.76 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.948 -0.569 . . . . 50.0 110.409 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.26 -55.69 5.06 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.575 -0.739 . . . . 25.0 110.151 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.629 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 59.7 m -69.35 -15.87 63.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.412 -0.813 . . . . 50.0 109.205 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.763 ' HA ' HD12 ' A' ' 47' ' ' LEU . 1.1 tm-20 -42.01 -20.26 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 115.336 -0.847 . . . . 50.0 110.977 -178.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.734 ' O ' HG21 ' B' ' 3' ' ' THR . . . -73.12 -47.77 41.35 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 120.419 -0.512 . . . . 25.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -88.17 -41.7 12.81 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.292 1.219 . . . . 50.0 114.292 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 1.046 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.2 pp -55.99 -25.89 46.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.011 0.374 . . . . 16.66 112.011 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 1.046 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.2 pp -85.87 172.22 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.424 0.63 . . . . 25.0 109.728 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' OD2' ' A' ' 49' ' ' ASP . 49.5 t0 -159.59 10.82 0.12 Allowed 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.794 -1.093 . . . . 50.0 109.45 -178.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -158.77 40.85 0.24 Allowed 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 106.525 -1.657 . . . . 50.0 106.525 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.689 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 20.2 t80 -65.95 145.25 56.13 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 114.43 -1.259 . . . . 16.66 111.578 -178.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.689 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 12.9 t -133.92 159.46 42.39 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 113.394 -1.73 . . . . 50.0 108.427 177.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 1.468 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 6.3 p -81.6 159.38 66.87 Favored Pre-proline 0 N--CA 1.414 -2.253 0 CA-C-O 121.549 0.69 . . . . 16.66 110.138 -179.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 26.5 Cg_endo -81.68 -24.05 4.46 Favored 'Trans proline' 0 C--N 1.278 -3.162 0 C-N-CA 122.01 1.807 . . . . 16.66 109.926 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 55' ' ' GLN . 1.9 tm0? -71.11 -36.12 72.04 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.343 -1.354 . . . . 50.0 107.343 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 CA-C-N 114.726 -1.125 . . . . 16.66 109.388 178.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.721 HH21 ' N ' ' A' ' 26' ' ' CYS . 18.1 mtm105 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.739 0.304 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.734 HG21 ' O ' ' A' ' 45' ' ' ALA . 6.0 m . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.163 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.561 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 16.2 m-85 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.998 0.427 . . . . 25.0 112.021 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 1.01 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 9.9 t -35.4 134.17 0.32 Allowed 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 122.026 0.917 . . . . 16.66 112.182 -178.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.788 HG21 ' CD2' ' A' ' 33' ' ' TYR . 19.3 pt -52.14 -7.28 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 113.803 -1.544 . . . . 50.0 108.382 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.984 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -87.1 -8.64 56.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.764 -1.562 . . . . 16.66 110.613 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 57.1 mttp 71.49 78.67 0.17 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.171 -0.468 . . . . 25.0 112.1 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.823 ' HG1' ' HE1' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -153.6 149.69 21.73 Favored Pre-proline 0 N--CA 1.468 0.441 0 CA-C-O 120.778 0.323 . . . . 50.0 111.267 179.793 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.46 177.38 8.44 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 123.057 2.505 . . . . 50.0 112.348 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.56 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 1.0 OUTLIER -81.05 130.4 35.0 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.367 0.603 . . . . 50.0 110.372 -179.544 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.758 ' C ' ' H ' ' A' ' 20' ' ' SER . 79.7 m-20 -140.38 121.88 15.12 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.046 -0.979 . . . . 50.0 109.12 178.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.78 6.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.272 0.558 . . . . 50.0 109.552 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.758 ' H ' ' C ' ' A' ' 18' ' ' ASP . 17.8 m -101.62 -9.5 20.88 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 107.404 -1.332 . . . . 50.0 107.404 178.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.633 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 17.2 tptt -119.58 130.65 55.24 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 113.165 -1.834 . . . . 50.0 106.176 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 45' ' ' ALA . 51.9 p90 -108.3 145.3 34.6 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 119.446 -0.902 . . . . 16.66 110.046 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.592 ' CE2' ' HD2' ' A' ' 34' ' ' HIS . 41.1 m-85 -120.63 171.05 8.85 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 116.818 2.155 . . . . 50.0 116.818 -175.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.945 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -149.13 123.76 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 CA-C-N 108.827 -3.806 . . . . 16.66 106.152 176.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.523 ' C ' HH21 ' B' ' 2' ' ' ARG . . . -89.29 128.06 8.99 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 120.592 -0.813 . . . . 16.66 114.589 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 1.469 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -47.51 108.38 0.15 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 106.956 -1.498 . . . . 16.66 106.956 176.145 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -64.37 -33.66 76.36 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.009 0.909 . . . . 25.0 108.621 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.7 ttm-85 -99.59 -33.07 10.78 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 113.76 -1.564 . . . . 50.0 111.217 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.329 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -86.88 -29.05 22.46 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 119.902 -0.719 . . . . 16.66 110.79 -179.22 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.789 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.3 OUTLIER 85.45 15.47 0.15 Allowed 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.454 1.279 . . . . 16.66 114.454 178.021 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.807 ' H ' HD21 ' A' ' 31' ' ' ASN . 0.0 OUTLIER -135.57 170.97 15.13 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 120.057 1.299 . . . . 50.0 112.227 178.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.714 ' CH2' ' NH1' ' B' ' 2' ' ' ARG . 0.0 OUTLIER -116.01 151.41 35.53 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 116.36 1.985 . . . . 16.66 116.36 -175.109 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.788 ' CD2' HG21 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -140.49 163.91 31.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.612 -1.176 . . . . 50.0 108.636 173.284 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.823 ' HE1' ' HG1' ' A' ' 15' ' ' THR . 0.1 OUTLIER -79.51 132.77 36.42 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 107.412 -1.329 . . . . 16.66 107.412 177.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.563 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -40.75 -37.68 1.38 Allowed Glycine 0 C--N 1.304 -1.214 0 C-N-CA 119.842 -1.17 . . . . 16.66 110.523 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.605 ' HD3' ' N ' ' A' ' 36' ' ' ARG . 2.2 mmt85 -70.67 -33.04 70.51 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.332 -0.988 . . . . 50.0 108.332 178.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 1.01 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 3.0 t -68.59 -49.36 59.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.974 -1.467 . . . . 16.66 110.652 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -80.12 -12.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.299 -1.319 . . . . 16.66 110.051 -179.516 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.94 45.85 8.1 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.547 -0.621 . . . . 16.66 111.547 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.498 HG21 ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -126.48 171.03 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.24 0.543 . . . . 16.66 112.176 -178.724 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.498 ' N ' HG21 ' A' ' 40' ' ' ILE . 18.4 mt -55.06 166.89 0.47 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.275 -0.875 . . . . 50.0 111.53 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.421 ' HB3' HE21 ' A' ' 42' ' ' GLN . 4.5 tt0 -77.83 -54.0 6.84 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.088 -1.415 . . . . 25.0 110.341 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.55 ' O ' ' N ' ' A' ' 45' ' ' ALA . 23.0 m -72.41 -16.06 61.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.983 -1.008 . . . . 50.0 110.113 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.874 ' HA ' HD12 ' A' ' 47' ' ' LEU . 1.6 mm-40 -42.89 -17.61 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.032 -0.531 . . . . 50.0 110.48 179.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.841 ' O ' HG21 ' B' ' 3' ' ' THR . . . -81.05 -46.9 14.32 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.84 -0.618 . . . . 25.0 111.6 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.647 ' C ' ' H ' ' A' ' 48' ' ' ILE . 48.1 tp10 -87.15 -53.22 4.98 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.782 1.031 . . . . 50.0 113.782 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.874 HD12 ' HA ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -70.33 14.98 0.1 Allowed 'General case' 0 CA--C 1.491 -1.306 0 CA-C-O 121.068 0.461 . . . . 16.66 110.738 -178.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.837 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -109.74 148.2 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.573 0 CA-C-N 115.341 -0.845 . . . . 25.0 113.21 -176.048 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.827 ' H ' HD11 ' A' ' 48' ' ' ILE . 63.5 t0 -162.99 39.0 0.1 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.699 -1.137 . . . . 50.0 110.775 -178.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.415 ' H ' HD13 ' A' ' 48' ' ' ILE . 23.3 pt-20 -177.21 15.62 0.0 OUTLIER 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.011 -0.737 . . . . 50.0 109.011 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.736 ' HH ' ' HA ' ' A' ' 53' ' ' CYS . 1.6 t80 -69.22 148.15 50.26 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.541 -0.754 . . . . 16.66 111.602 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.602 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 20.6 t -132.68 159.53 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 114.443 -1.253 . . . . 50.0 108.537 177.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 1.469 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.7 p -76.75 156.91 82.55 Favored Pre-proline 0 N--CA 1.416 -2.162 0 CA-C-O 121.556 0.694 . . . . 16.66 110.241 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 47.0 Cg_endo -76.67 -26.27 8.51 Favored 'Trans proline' 0 C--N 1.273 -3.402 0 C-N-CA 121.779 1.653 . . . . 16.66 110.494 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -70.07 -34.92 73.78 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.208 -1.034 . . . . 50.0 108.208 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 1.17 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.368 0 CA-C-N 115.026 -0.988 . . . . 16.66 110.148 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.759 HH22 ' N ' ' A' ' 31' ' ' ASN . 25.0 ttp85 . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 121.211 0.529 . . . . 0.0 109.661 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.841 HG21 ' O ' ' A' ' 45' ' ' ALA . 63.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.167 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.582 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 9.4 m-85 . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 113.427 0.899 . . . . 25.0 113.427 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.981 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 18.2 t -30.94 116.8 0.16 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.384 -1.28 . . . . 16.66 113.307 -177.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.716 HG21 ' CD1' ' A' ' 33' ' ' TYR . 12.5 pt -51.99 -11.48 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 112.958 -1.928 . . . . 50.0 108.937 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.989 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -79.88 6.32 11.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.878 -1.51 . . . . 16.66 110.772 -178.859 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 8.2 mtmp? 69.18 54.53 0.43 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.123 -0.489 . . . . 25.0 111.786 179.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 p -146.21 125.27 6.57 Favored Pre-proline 0 CA--C 1.536 0.437 0 C-N-CA 120.538 -0.465 . . . . 50.0 111.511 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -71.46 -179.3 3.55 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.83 2.353 . . . . 50.0 111.313 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.542 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -64.48 129.46 39.94 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.709 0.766 . . . . 50.0 111.357 -178.747 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.777 ' C ' ' H ' ' A' ' 20' ' ' SER . 86.7 m-20 -141.29 116.51 10.01 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.104 -1.407 . . . . 50.0 107.842 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.11 6.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.251 -0.579 . . . . 50.0 109.487 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.777 ' H ' ' C ' ' A' ' 18' ' ' ASP . 19.0 m -103.48 -7.2 21.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.874 -1.158 . . . . 50.0 107.874 178.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -119.92 134.16 55.33 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 113.828 -1.533 . . . . 50.0 107.674 179.588 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.775 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 29.2 p90 -106.74 152.8 23.33 Favored 'General case' 0 CA--C 1.497 -1.077 0 C-N-CA 119.786 -0.765 . . . . 16.66 109.479 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.504 ' CE1' ' CE1' ' A' ' 17' ' ' TYR . 51.4 m-85 -129.35 175.72 8.52 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 116.351 1.982 . . . . 50.0 116.351 -175.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.949 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -148.18 134.97 13.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 CA-C-N 109.735 -3.393 . . . . 16.66 106.632 177.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.96 128.9 9.67 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 120.88 -0.676 . . . . 16.66 113.974 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 1.326 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 1.8 t -55.81 108.14 0.42 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.059 -1.089 . . . . 16.66 108.059 177.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.573 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 57.6 t0 -56.65 -35.46 68.39 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 120.992 0.425 . . . . 25.0 110.508 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.98 -31.94 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 50.0 110.69 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.326 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -81.7 -28.21 33.59 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 120.187 -0.605 . . . . 16.66 110.031 -179.525 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.713 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 74.19 20.5 2.68 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.484 0.92 . . . . 16.66 113.484 178.297 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.626 HD21 ' HB2' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -134.37 171.94 13.59 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.957 -0.697 . . . . 50.0 111.338 178.658 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.582 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -118.78 153.6 34.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 116.184 1.92 . . . . 16.66 116.184 -174.718 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.758 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -140.24 158.44 44.03 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 113.364 -1.744 . . . . 50.0 106.385 172.803 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.806 ' ND1' ' SG ' ' A' ' 37' ' ' CYS . 18.1 p-80 -79.57 148.07 31.88 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 116.505 -2.078 . . . . 16.66 107.364 177.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.568 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -39.06 -61.74 1.35 Allowed Glycine 0 C--N 1.307 -1.053 0 C-N-CA 120.086 -1.055 . . . . 16.66 113.649 -173.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.775 ' NE ' ' HE2' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -68.77 -17.65 64.07 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 119.715 -0.794 . . . . 50.0 110.082 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.989 ' SG ' ' CB ' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -49.47 -33.68 14.92 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.573 -0.899 . . . . 16.66 108.573 179.62 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.1 m -117.29 16.52 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.935 -1.03 . . . . 16.66 110.506 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 70.84 46.2 47.06 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.321 -0.854 . . . . 16.66 112.542 178.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.568 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -114.67 167.94 6.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.12 0.486 . . . . 16.66 110.767 -179.839 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.528 ' N ' HG21 ' A' ' 40' ' ' ILE . 44.2 mt -61.85 164.94 5.78 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.612 -0.722 . . . . 50.0 110.128 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.482 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -78.61 -55.69 5.0 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.531 -0.759 . . . . 25.0 110.634 -178.745 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.629 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 70.1 m -69.56 -15.27 63.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.507 -0.77 . . . . 50.0 109.072 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.823 ' HA ' HD12 ' A' ' 47' ' ' LEU . 1.1 tm-20 -41.55 -19.94 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 115.327 -0.851 . . . . 50.0 111.004 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.719 ' O ' HG21 ' B' ' 3' ' ' THR . . . -73.8 -47.56 37.82 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 120.59 -0.444 . . . . 25.0 111.234 -179.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -86.48 -43.99 12.33 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.774 1.027 . . . . 50.0 113.774 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 1.059 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.1 pp -55.82 -24.85 38.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.096 0.406 . . . . 16.66 112.096 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 1.059 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.3 pp -86.16 172.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 121.71 0.766 . . . . 25.0 109.981 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -158.67 8.25 0.13 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.505 -1.225 . . . . 50.0 109.274 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -153.69 36.9 0.45 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.018 -1.446 . . . . 50.0 107.244 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.669 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 23.6 t80 -66.18 146.3 54.79 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 122.026 0.917 . . . . 16.66 110.872 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.669 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 21.2 t -137.27 158.8 35.76 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-N 113.687 -1.597 . . . . 50.0 109.204 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 1.002 ' SG ' ' CB ' ' A' ' 56' ' ' CYS . 4.5 p -77.13 161.44 73.17 Favored Pre-proline 0 N--CA 1.417 -2.108 0 CA-C-O 121.37 0.605 . . . . 16.66 109.45 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.512 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 16.2 Cg_endo -81.76 -28.46 2.14 Favored 'Trans proline' 0 C--N 1.278 -3.14 0 C-N-CA 121.954 1.77 . . . . 16.66 111.088 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -71.98 -31.65 66.48 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.184 -1.413 . . . . 50.0 107.184 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 1.19 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 7.6 m . . . . . 0 N--CA 1.451 -0.42 0 CA-C-N 114.18 -1.373 . . . . 16.66 110.325 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.573 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 32.7 mtm180 . . . . . 0 C--O 1.23 0.067 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.719 HG21 ' O ' ' A' ' 45' ' ' ALA . 28.2 m . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.617 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 10.0 m-85 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 120.968 0.414 . . . . 25.0 110.634 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 36.6 t -36.85 133.48 0.58 Allowed 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 122.005 0.907 . . . . 16.66 112.379 -179.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.749 HG21 ' CD1' ' A' ' 33' ' ' TYR . 12.5 pt -55.57 -7.08 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 113.62 -1.627 . . . . 50.0 108.101 177.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.953 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -84.24 -12.28 55.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 113.612 -1.631 . . . . 16.66 111.601 -179.053 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 34.2 mtmt 78.29 78.61 0.07 Allowed 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 111.948 0.351 . . . . 25.0 111.948 179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.52 141.62 7.98 Favored Pre-proline 0 CA--C 1.535 0.371 0 C-N-CA 120.903 -0.319 . . . . 50.0 110.895 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.26 -165.92 0.27 Allowed 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.764 2.309 . . . . 50.0 111.906 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.617 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -86.08 130.93 34.38 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 121.716 0.769 . . . . 50.0 110.969 -179.191 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.799 ' C ' ' H ' ' A' ' 20' ' ' SER . 90.6 m-20 -140.76 116.84 10.53 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 114.415 -1.266 . . . . 50.0 108.247 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -57.43 8.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.291 0.567 . . . . 50.0 109.692 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.799 ' H ' ' C ' ' A' ' 18' ' ' ASP . 31.7 m -101.68 -12.28 18.52 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 107.452 -1.314 . . . . 50.0 107.452 178.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.613 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 14.0 tptt -115.26 131.08 57.04 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 113.575 -1.648 . . . . 50.0 106.612 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.762 ' CZ ' ' NE2' ' A' ' 42' ' ' GLN . 46.1 p90 -109.55 142.8 40.1 Favored 'General case' 0 CA--C 1.494 -1.21 0 C-N-CA 119.778 -0.769 . . . . 16.66 109.567 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.556 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 38.6 m-85 -119.35 173.81 6.74 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 117.024 2.231 . . . . 50.0 117.024 -174.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.984 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -145.02 134.49 18.32 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 CA-C-N 108.989 -3.732 . . . . 16.66 106.862 177.529 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -94.94 123.96 7.78 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 120.417 -0.897 . . . . 16.66 113.496 -178.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 1.326 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 1.8 t -48.09 118.24 2.29 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.504 -0.924 . . . . 16.66 108.504 177.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.695 ' HB2' HG23 ' A' ' 52' ' ' VAL . 51.8 t0 -53.1 -37.03 61.36 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.528 -0.469 . . . . 25.0 110.429 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.444 ' C ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -111.61 -37.95 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.807 -0.633 . . . . 50.0 110.2 179.755 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.326 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -72.53 0.44 10.39 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.391 0.615 . . . . 16.66 109.543 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.537 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 4.6 pt20 31.43 33.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.784 -1.098 . . . . 16.66 112.906 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.565 ' OD1' ' OH ' ' A' ' 33' ' ' TYR . 22.0 p30 -134.39 171.2 14.61 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 120.467 -0.493 . . . . 50.0 111.021 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.512 ' HD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -121.8 151.65 40.37 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 116.993 2.22 . . . . 16.66 116.993 -174.045 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.749 ' CD1' HG21 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -141.12 166.03 25.92 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 113.705 -1.589 . . . . 50.0 109.454 173.639 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.613 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -73.67 141.33 46.46 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 106.06 -1.83 . . . . 16.66 106.06 176.421 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.505 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -42.33 -46.64 5.52 Favored Glycine 0 C--N 1.305 -1.153 0 C-N-CA 119.595 -1.288 . . . . 16.66 111.379 -178.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.441 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -78.8 -19.68 51.58 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.189 -0.604 . . . . 50.0 109.765 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 4.0 t -51.68 -28.21 14.02 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 119.588 -0.845 . . . . 16.66 108.858 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.3 m -116.72 9.92 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.071 -0.968 . . . . 16.66 110.684 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 75.21 46.08 17.2 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.676 -0.693 . . . . 16.66 112.512 178.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.544 ' CG2' ' HG2' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -115.77 168.24 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.169 0.509 . . . . 16.66 110.83 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.531 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 66.0 mt -63.38 162.33 12.56 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.581 -0.736 . . . . 50.0 111.252 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.762 ' NE2' ' CZ ' ' A' ' 22' ' ' PHE . 1.2 tp60 -80.39 -55.45 4.88 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.709 0.766 . . . . 25.0 108.933 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.592 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 49.0 m -57.26 -13.99 3.85 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 114.75 -1.114 . . . . 50.0 108.467 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.931 ' O ' HG13 ' A' ' 48' ' ' ILE . 2.5 pp20? -40.82 -52.22 3.05 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 114.934 -1.03 . . . . 50.0 110.409 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.773 ' H ' ' HG3' ' A' ' 44' ' ' GLU . . . -54.86 -36.3 64.95 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 114.705 -1.134 . . . . 25.0 111.43 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' SER . 95.9 mt-10 -89.54 -7.85 54.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.449 1.278 . . . . 50.0 114.449 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 44' ' ' GLU . 2.7 pp -116.28 -20.98 9.54 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 115.122 1.527 . . . . 16.66 115.122 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.931 HG13 ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -86.48 171.08 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-O 121.496 0.665 . . . . 25.0 110.261 -179.324 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -167.91 18.68 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.848 -1.069 . . . . 50.0 109.029 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -160.56 29.07 0.16 Allowed 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 106.75 -1.574 . . . . 50.0 106.75 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.658 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 3.6 t80 -66.83 147.93 52.61 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 114.622 -1.172 . . . . 16.66 110.179 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.695 HG23 ' HB2' ' A' ' 27' ' ' ASP . 21.3 t -134.11 159.52 42.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 CA-C-N 113.957 -1.474 . . . . 50.0 109.098 178.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 1.018 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 6.3 p -79.83 158.36 73.01 Favored Pre-proline 0 N--CA 1.411 -2.386 0 N-CA-C 109.225 -0.657 . . . . 16.66 109.225 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 32.8 Cg_endo -77.17 -30.61 4.18 Favored 'Trans proline' 0 C--N 1.272 -3.474 0 C-N-CA 121.766 1.644 . . . . 16.66 110.642 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -70.17 -31.52 69.04 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.718 -0.845 . . . . 50.0 108.718 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 1.199 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-N 115.565 -0.743 . . . . 16.66 110.412 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.583 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 3.4 mtm105 . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.676 0.274 . . . . 0.0 110.513 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.74 ' HG1' HD13 ' A' ' 48' ' ' ILE . 16.2 m . . . . . 0 C--N 1.33 -0.266 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.438 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 25.1 m-85 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.889 0.376 . . . . 25.0 110.789 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 1.231 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -36.42 120.52 0.67 Allowed 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.316 1.055 . . . . 16.66 110.597 -179.266 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.671 HG21 ' CD1' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -43.92 -5.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 CA-C-N 112.767 -2.015 . . . . 50.0 110.691 -178.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.998 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -80.88 -22.0 40.18 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.995 -0.548 . . . . 16.66 109.818 177.445 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.719 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 89.81 80.2 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.842 1.053 . . . . 25.0 113.842 177.844 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.595 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 1.1 p -156.62 144.96 14.45 Favored Pre-proline 0 N--CA 1.472 0.64 0 CA-C-N 116.229 -0.441 . . . . 50.0 110.563 177.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.35 -173.82 0.88 Allowed 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.784 2.323 . . . . 50.0 111.898 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.503 ' HD1' ' H ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -82.92 129.22 34.99 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.55 0.69 . . . . 50.0 111.098 -179.315 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.767 ' C ' ' H ' ' A' ' 20' ' ' SER . 88.5 m-20 -140.98 117.33 10.73 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.694 -1.139 . . . . 50.0 109.269 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -57.05 4.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.072 -0.714 . . . . 50.0 109.072 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.767 ' H ' ' C ' ' A' ' 18' ' ' ASP . 69.4 m -98.55 -4.03 35.08 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 107.835 -1.172 . . . . 50.0 107.835 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.819 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 1.2 tptm -124.28 130.89 53.3 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 113.702 -1.59 . . . . 50.0 107.202 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -111.04 132.99 53.77 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-O 121.813 0.816 . . . . 16.66 110.888 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.623 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 7.1 m-85 -110.22 176.54 5.01 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 124.369 2.033 . . . . 50.0 115.74 -176.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.965 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -149.55 129.76 4.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 109.092 -3.685 . . . . 16.66 106.866 178.56 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.5 126.58 8.07 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 120.885 -0.674 . . . . 16.66 113.671 -177.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 1.351 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 2.2 t -54.39 110.51 0.63 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.777 0.831 . . . . 16.66 109.858 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.536 ' OD2' ' NH1' ' A' ' 28' ' ' ARG . 65.7 t0 -48.98 -43.28 39.88 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 120.602 -0.439 . . . . 25.0 111.993 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.825 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -113.46 -15.95 12.51 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 119.89 -0.724 . . . . 50.0 110.311 178.69 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.351 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -80.85 -28.31 36.15 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 118.724 -1.191 . . . . 16.66 108.023 178.109 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.672 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.6 OUTLIER 80.79 8.07 1.25 Allowed 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 115.83 1.789 . . . . 16.66 115.83 176.115 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -135.86 173.23 11.94 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 120.799 1.636 . . . . 50.0 114.517 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.43 ' HA ' ' O ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -101.6 147.03 26.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 116.851 2.167 . . . . 16.66 116.851 -174.793 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.721 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -139.21 154.77 48.08 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.026 -1.443 . . . . 50.0 108.684 171.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.966 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -73.97 135.93 43.21 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 105.826 -1.916 . . . . 16.66 105.826 176.163 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.564 ' HA3' HG23 ' A' ' 40' ' ' ILE . . . -42.85 -59.01 3.42 Favored Glycine 0 C--N 1.305 -1.171 0 C-N-CA 119.686 -1.245 . . . . 16.66 112.299 -177.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -64.09 -33.07 74.92 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.401 0.62 . . . . 50.0 110.048 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 1.231 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 48.1 t -55.57 -16.28 3.8 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.024 -0.989 . . . . 16.66 109.509 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.573 HG13 ' CD1' ' A' ' 12' ' ' ILE . 1.3 m -129.38 8.68 2.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 115.73 -0.668 . . . . 16.66 110.367 177.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.03 48.11 10.33 Favored Glycine 0 C--N 1.337 0.605 0 CA-C-N 115.968 -0.56 . . . . 16.66 113.19 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.564 HG23 ' HA3' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -113.22 167.11 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 120.032 -0.667 . . . . 16.66 111.107 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.563 HD13 ' N ' ' A' ' 41' ' ' LEU . 7.3 mp -62.1 165.33 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.765 -0.652 . . . . 50.0 110.152 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.449 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -77.9 -55.2 5.5 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.741 -0.663 . . . . 25.0 110.393 -178.783 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.572 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 53.3 m -70.85 -15.33 62.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.599 -0.728 . . . . 50.0 109.335 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.779 ' HA ' HD12 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -41.62 -21.09 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.229 -0.896 . . . . 50.0 111.178 -178.575 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.716 ' O ' HG21 ' B' ' 3' ' ' THR . . . -67.08 -53.58 29.66 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 120.419 -0.512 . . . . 25.0 111.088 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -86.84 -40.02 15.31 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.665 1.357 . . . . 50.0 114.665 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 1.027 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -56.32 -24.68 45.24 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.272 0.842 . . . . 16.66 113.272 -176.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 1.027 ' N ' HD13 ' A' ' 47' ' ' LEU . 1.4 pp -85.42 171.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.856 0.836 . . . . 25.0 110.394 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.457 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 33.5 t0 -164.15 13.83 0.05 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.156 -1.384 . . . . 50.0 108.532 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.41 ' H ' ' H ' ' A' ' 49' ' ' ASP . 9.2 mt-10 -159.69 35.23 0.19 Allowed 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 113.467 -1.697 . . . . 50.0 106.426 179.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.751 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 14.8 t80 -66.37 148.57 51.68 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 114.851 -1.068 . . . . 16.66 110.842 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.751 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 21.3 t -137.53 158.88 34.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 113.482 -1.69 . . . . 50.0 109.661 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 1.03 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 5.3 p -76.72 160.86 75.95 Favored Pre-proline 0 N--CA 1.411 -2.394 0 N-CA-C 109.197 -0.668 . . . . 16.66 109.197 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 33.5 Cg_endo -78.63 -32.91 1.91 Allowed 'Trans proline' 0 C--N 1.272 -3.468 0 C-N-CA 121.44 1.427 . . . . 16.66 110.191 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -68.11 -36.99 80.64 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.144 -0.687 . . . . 50.0 109.144 176.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 1.129 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.339 0.139 0 N-CA-C 109.859 -0.423 . . . . 16.66 109.859 179.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.694 ' NH2' ' O ' ' A' ' 26' ' ' CYS . 61.8 mtm-85 . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 120.52 0.2 . . . . 0.0 111.41 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.716 HG21 ' O ' ' A' ' 45' ' ' ALA . 26.5 m . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.66 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 6.1 m-85 . . . . . 0 N--CA 1.449 -0.514 0 CA-C-O 121.948 0.88 . . . . 25.0 109.836 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 1.079 ' SG ' ' CB ' ' A' ' 13' ' ' CYS . 20.0 t -36.86 125.54 0.89 Allowed 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 113.677 -1.601 . . . . 16.66 112.169 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.783 HG21 ' CD1' ' A' ' 33' ' ' TYR . 19.6 pt -53.64 -6.81 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 N-CA-C 107.183 -1.414 . . . . 50.0 107.183 178.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.079 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -88.0 -16.41 33.78 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 113.474 -1.694 . . . . 16.66 110.991 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.58 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 61.1 mttm 80.73 79.44 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.762 0.653 . . . . 25.0 112.762 178.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.792 ' HG1' ' HD2' ' A' ' 16' ' ' PRO . 0.5 OUTLIER -150.86 145.66 18.48 Favored Pre-proline 0 CA--C 1.538 0.497 0 C-N-CA 120.736 -0.385 . . . . 50.0 111.581 179.056 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.792 ' HD2' ' HG1' ' A' ' 15' ' ' THR . 62.4 Cg_endo -73.82 170.68 19.49 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 123.178 2.585 . . . . 50.0 111.654 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.66 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -74.16 129.44 37.83 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 121.67 0.748 . . . . 50.0 111.35 -178.684 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.763 ' C ' ' H ' ' A' ' 20' ' ' SER . 77.3 m-20 -140.69 119.77 12.81 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.377 -1.283 . . . . 50.0 109.073 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.67 3.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.283 0.563 . . . . 50.0 109.541 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.763 ' H ' ' C ' ' A' ' 18' ' ' ASP . 55.9 m -95.27 -28.07 15.18 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 107.998 -1.112 . . . . 50.0 107.998 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.652 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -90.18 131.6 35.93 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.129 -1.396 . . . . 50.0 107.84 178.193 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CZ ' ' NE2' ' A' ' 42' ' ' GLN . 18.0 p90 -106.11 138.16 42.78 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.932 -0.766 . . . . 16.66 108.932 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.652 ' CZ ' ' HB3' ' A' ' 21' ' ' LYS . 88.6 m-85 -116.99 169.66 9.24 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 117.142 2.275 . . . . 50.0 117.142 -174.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.975 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -143.22 128.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 CA-C-N 109.261 -3.609 . . . . 16.66 106.353 176.208 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.616 ' H ' ' HA ' ' B' ' 3' ' ' THR . . . -96.26 125.39 8.41 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 120.537 -0.84 . . . . 16.66 113.306 -177.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 1.3 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 1.2 t -47.53 119.68 2.86 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.769 -0.716 . . . . 16.66 109.677 178.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.707 ' HB2' HG23 ' A' ' 52' ' ' VAL . 58.6 t0 -53.46 -41.83 66.57 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.363 -0.535 . . . . 25.0 110.565 -179.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.52 -17.33 11.74 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 120.459 -0.496 . . . . 50.0 110.971 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.3 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -90.19 0.85 56.99 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 108.575 -0.898 . . . . 16.66 108.575 179.035 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.617 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 5.0 pt20 31.94 36.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 113.94 -1.482 . . . . 16.66 113.982 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.622 ' OD1' ' OH ' ' A' ' 33' ' ' TYR . 16.6 p30 -135.18 171.2 14.77 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 119.975 -0.69 . . . . 50.0 111.302 177.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.507 ' O ' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -119.92 153.0 36.54 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 117.393 2.368 . . . . 16.66 117.393 -173.137 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.783 ' CD1' HG21 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -142.07 159.75 41.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 113.507 -1.679 . . . . 50.0 110.25 174.727 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.783 ' CE1' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -67.31 146.45 54.1 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 104.025 -2.583 . . . . 16.66 104.025 174.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.546 ' C ' HG23 ' A' ' 40' ' ' ILE . . . -45.95 -51.42 10.9 Favored Glycine 0 C--N 1.304 -1.225 0 C-N-CA 118.791 -1.671 . . . . 16.66 110.728 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.449 ' H ' ' HG3' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -75.39 -18.69 59.88 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 120.763 -0.375 . . . . 50.0 110.18 179.563 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 1.065 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 3.0 t -49.84 -29.64 8.39 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.393 -0.966 . . . . 16.66 108.393 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.2 m -115.97 15.33 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.79 -1.095 . . . . 16.66 110.612 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.49 46.27 33.31 Favored Glycine 0 N--CA 1.462 0.432 0 CA-C-N 115.705 -0.68 . . . . 16.66 112.366 178.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.546 HG23 ' C ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -120.39 168.09 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.086 0.469 . . . . 16.66 111.468 -179.443 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.501 ' N ' HG21 ' A' ' 40' ' ' ILE . 63.8 mt -61.07 165.87 3.97 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.613 -0.721 . . . . 50.0 110.402 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.512 ' NE2' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -79.55 -55.9 4.7 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.415 -0.811 . . . . 25.0 110.976 -179.465 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.591 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 72.7 m -67.61 -15.26 63.56 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.264 -0.88 . . . . 50.0 109.036 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.779 ' HA ' HD12 ' A' ' 47' ' ' LEU . 1.1 tm-20 -42.07 -19.94 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 115.29 -0.868 . . . . 50.0 110.288 -179.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.625 ' O ' HG21 ' B' ' 3' ' ' THR . . . -74.52 -45.04 48.31 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.905 -0.589 . . . . 25.0 110.626 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' SER . 46.8 tp10 -86.95 -45.71 10.54 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.839 1.052 . . . . 50.0 113.839 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 1.0 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.5 pp -55.83 -25.3 41.11 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.392 0.516 . . . . 16.66 112.392 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 1.0 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.3 pp -86.17 172.66 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.703 0.763 . . . . 25.0 110.398 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -161.9 25.73 0.12 Allowed 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.294 -1.321 . . . . 50.0 109.213 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -170.29 39.22 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 106.574 -1.639 . . . . 50.0 106.574 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.741 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 29.9 t80 -66.0 147.15 53.8 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.813 -1.085 . . . . 16.66 111.528 -178.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.741 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 23.8 t -136.15 159.53 38.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 113.594 -1.639 . . . . 50.0 109.445 178.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 1.153 ' SG ' ' CB ' ' A' ' 56' ' ' CYS . 2.3 p -80.45 161.26 65.26 Favored Pre-proline 0 N--CA 1.417 -2.076 0 N-CA-C 109.344 -0.613 . . . . 16.66 109.344 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.466 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 15.9 Cg_endo -82.21 -29.74 1.46 Allowed 'Trans proline' 0 C--N 1.277 -3.19 0 C-N-CA 121.956 1.77 . . . . 16.66 112.396 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -83.05 -18.34 40.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.003 -1.11 . . . . 50.0 108.003 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 1.153 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 91.9 m . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 114.185 -1.371 . . . . 16.66 111.156 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.617 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 3.4 ttm-85 . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.818 0.342 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.845 ' HG1' ' CD1' ' A' ' 48' ' ' ILE . 5.7 m . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.548 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 16.3 m-85 . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 121.292 0.568 . . . . 25.0 111.622 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.955 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 14.7 t -35.61 135.04 0.29 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.207 -0.906 . . . . 16.66 112.299 -178.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.728 HG21 ' CD1' ' A' ' 33' ' ' TYR . 19.1 pt -52.01 -7.34 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 113.879 -1.509 . . . . 50.0 107.984 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -86.2 -22.39 26.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 113.403 -1.726 . . . . 16.66 110.928 -179.497 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.604 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 95.3 mttt 82.53 78.87 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.943 0.349 . . . . 25.0 111.943 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.578 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 60.7 p -149.31 147.89 24.82 Favored Pre-proline 0 N--CA 1.468 0.453 0 CA-C-O 120.686 0.279 . . . . 50.0 111.285 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.7 -179.57 3.87 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.935 2.423 . . . . 50.0 111.68 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.548 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -83.49 130.32 35.01 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 121.516 0.674 . . . . 50.0 111.027 -179.148 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.801 ' C ' ' H ' ' A' ' 20' ' ' SER . 86.4 m-20 -140.75 119.83 12.81 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 114.648 -1.16 . . . . 50.0 109.38 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.55 8.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.34 0.59 . . . . 50.0 109.562 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.801 ' H ' ' C ' ' A' ' 18' ' ' ASP . 32.1 m -100.73 -21.43 15.2 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.694 -1.224 . . . . 50.0 107.694 178.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.741 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 2.8 tppt? -100.21 129.56 46.24 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 113.527 -1.67 . . . . 50.0 106.713 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 24.3 p90 -104.52 148.54 26.37 Favored 'General case' 0 CA--C 1.493 -1.214 0 C-N-CA 119.618 -0.833 . . . . 16.66 109.295 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.43 ' CE1' ' CE1' ' A' ' 17' ' ' TYR . 94.7 m-85 -124.6 169.48 11.88 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 117.538 2.421 . . . . 50.0 117.538 -173.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.942 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -145.81 131.28 12.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.196 0 CA-C-N 109.13 -3.668 . . . . 16.66 106.286 176.376 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.503 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -97.87 126.23 8.8 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 120.47 -0.871 . . . . 16.66 114.269 -177.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 1.308 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER -52.08 113.32 0.98 Allowed 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.588 -1.264 . . . . 16.66 107.588 176.384 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.497 ' CG ' ' O ' ' A' ' 51' ' ' TYR . 83.1 m-20 -64.32 -40.6 96.23 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-O 121.678 0.752 . . . . 25.0 109.119 -179.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 -93.83 -37.25 11.85 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.315 -1.311 . . . . 50.0 110.761 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.308 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -78.41 -28.66 46.86 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 119.857 -0.737 . . . . 16.66 110.069 -179.722 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.749 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 78.03 16.79 1.33 Allowed 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.321 1.23 . . . . 16.66 114.321 177.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.624 ' ND2' ' OH ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -136.33 173.68 11.45 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 119.714 1.143 . . . . 50.0 113.451 179.495 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.484 ' HD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -113.21 150.9 31.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 117.563 2.431 . . . . 16.66 117.563 -173.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.728 ' CD1' HG21 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -141.06 163.33 33.27 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 113.478 -1.692 . . . . 50.0 109.261 172.613 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.741 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -73.91 139.5 45.0 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.202 -2.147 . . . . 16.66 105.202 176.375 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.532 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -41.65 -46.16 4.68 Favored Glycine 0 C--N 1.308 -0.987 0 C-N-CA 119.267 -1.445 . . . . 16.66 111.683 -177.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 39' ' ' GLY . 1.7 ptm180 -80.31 -18.67 48.53 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.358 -0.537 . . . . 50.0 109.955 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.6 t -51.02 -28.5 10.21 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 119.272 -0.971 . . . . 16.66 108.719 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.5 m -117.79 12.84 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 114.677 -1.147 . . . . 16.66 110.459 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 71.35 46.64 40.38 Favored Glycine 0 N--CA 1.46 0.295 0 CA-C-N 115.679 -0.691 . . . . 16.66 111.957 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.532 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -114.99 168.33 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.121 0.486 . . . . 16.66 111.354 -179.459 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.521 ' N ' HG21 ' A' ' 40' ' ' ILE . 46.7 mt -60.94 164.45 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.573 -0.74 . . . . 50.0 110.042 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.489 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -78.54 -55.08 5.49 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.517 -0.765 . . . . 25.0 110.207 -179.101 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.543 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 74.3 m -70.16 -14.72 62.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.221 -0.899 . . . . 50.0 109.377 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.764 ' HA ' HD12 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -41.58 -20.6 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.34 -0.846 . . . . 50.0 110.869 -178.714 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.788 ' O ' HG21 ' B' ' 3' ' ' THR . . . -75.26 -41.44 57.31 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 120.579 -0.448 . . . . 25.0 110.694 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 43' ' ' SER . 81.2 tt0 -87.66 -47.4 8.7 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.907 1.077 . . . . 50.0 113.907 -178.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 1.011 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -55.46 -26.13 40.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.515 0.561 . . . . 16.66 112.515 -177.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 1.011 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.3 pp -86.14 172.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.527 0.679 . . . . 25.0 109.788 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 47.0 t0 -154.02 0.46 0.22 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.653 -1.158 . . . . 50.0 109.707 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -147.98 44.8 1.08 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.197 -1.408 . . . . 50.0 107.197 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.644 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 21.6 t80 -66.49 142.57 57.5 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.951 -1.022 . . . . 16.66 111.175 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.644 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 14.8 t -133.02 158.85 43.37 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 113.606 -1.634 . . . . 50.0 108.159 177.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 1.003 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 6.7 p -80.25 161.0 66.73 Favored Pre-proline 0 N--CA 1.414 -2.227 0 CA-C-O 121.595 0.712 . . . . 16.66 109.997 -178.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.557 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 25.0 Cg_endo -79.14 -25.4 5.96 Favored 'Trans proline' 0 C--N 1.276 -3.244 0 C-N-CA 122.108 1.872 . . . . 16.66 110.657 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -74.57 -30.45 61.72 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.029 -0.987 . . . . 50.0 108.504 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-N 115.496 -0.775 . . . . 16.66 111.245 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.735 HH21 ' N ' ' A' ' 26' ' ' CYS . 21.9 mtm105 . . . . . 0 CA--C 1.52 -0.194 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.811 ' HG1' ' CD1' ' A' ' 48' ' ' ILE . 18.0 m . . . . . 0 C--N 1.326 -0.429 0 C-N-CA 120.581 -0.447 . . . . 0.0 109.831 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.545 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 2.8 m-85 . . . . . 0 CA--C 1.535 0.366 0 CA-C-O 121.682 0.753 . . . . 25.0 112.461 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 1.02 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 2.3 t -34.52 124.74 0.52 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.429 -1.26 . . . . 16.66 113.568 -178.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.622 HG21 ' CD1' ' A' ' 33' ' ' TYR . 18.2 pt -55.8 -7.12 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 112.56 -2.109 . . . . 50.0 109.343 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.015 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -78.56 -17.33 56.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.676 -1.147 . . . . 16.66 110.679 -179.648 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.581 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 90.11 36.84 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.531 0.52 . . . . 25.0 112.339 179.03 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.22 126.75 24.28 Favored Pre-proline 0 CA--C 1.542 0.651 0 O-C-N 122.216 -0.302 . . . . 50.0 110.852 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.91 -162.35 0.06 OUTLIER 'Trans proline' 0 N--CA 1.5 1.897 0 C-N-CA 122.531 2.154 . . . . 50.0 112.252 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.505 ' HD1' ' H ' ' A' ' 18' ' ' ASP . 0.5 OUTLIER -76.31 131.78 39.41 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.735 0.779 . . . . 50.0 111.622 -178.293 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.825 ' C ' ' H ' ' A' ' 20' ' ' SER . 75.7 m-20 -140.83 112.84 7.75 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.179 -1.373 . . . . 50.0 107.775 177.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -54.78 7.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.176 0.512 . . . . 50.0 110.15 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.825 ' H ' ' C ' ' A' ' 18' ' ' ASP . 3.6 t -106.9 -3.99 19.65 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.965 -1.124 . . . . 50.0 107.965 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.83 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -120.24 134.01 55.35 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 114.095 -1.412 . . . . 50.0 108.503 -179.886 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.433 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 35.6 p90 -110.8 137.07 48.91 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-O 121.77 0.795 . . . . 16.66 110.606 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.588 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 26.4 m-85 -113.88 174.48 5.91 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 116.395 1.998 . . . . 50.0 116.395 -176.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.986 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -144.56 135.14 20.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-N 109.468 -3.514 . . . . 16.66 107.058 177.712 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -95.79 126.52 8.81 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 120.755 -0.736 . . . . 16.66 113.775 -178.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 1.336 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 7.4 t -54.96 121.46 8.72 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.394 0.678 . . . . 16.66 109.564 177.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.68 ' HB2' HG23 ' A' ' 52' ' ' VAL . 57.6 t0 -54.58 -34.96 62.78 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.604 -0.438 . . . . 25.0 110.845 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.16 -37.22 5.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.269 -0.423 . . . . 50.0 110.75 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.336 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.16 -4.7 45.94 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.369 0.604 . . . . 16.66 110.203 -179.041 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 29' ' ' CYS . 3.8 pp0? 34.85 34.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.991 -1.004 . . . . 16.66 112.373 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.505 ' OD1' ' OH ' ' A' ' 33' ' ' TYR . 19.7 p30 -133.72 170.74 15.12 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 120.598 -0.441 . . . . 50.0 110.541 178.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.545 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -123.02 153.7 39.47 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 116.512 2.041 . . . . 16.66 116.512 -174.014 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.753 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -139.87 157.46 45.68 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 113.61 -1.632 . . . . 50.0 109.236 173.894 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.875 ' ND1' ' SG ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -69.5 143.9 53.33 Favored 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 105.651 -1.981 . . . . 16.66 105.651 176.124 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.544 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -42.64 -55.71 4.51 Favored Glycine 0 C--N 1.309 -0.937 0 C-N-CA 119.553 -1.308 . . . . 16.66 111.78 -177.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -73.82 -19.25 60.8 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.741 -0.384 . . . . 50.0 110.02 179.565 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 1.02 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.7 t -50.26 -28.87 8.43 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.648 -0.871 . . . . 16.66 108.648 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.6 m -119.26 11.74 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.851 -1.068 . . . . 16.66 110.145 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 73.33 46.5 26.3 Favored Glycine 0 CA--C 1.518 0.237 0 CA-C-N 115.495 -0.775 . . . . 16.66 112.307 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.544 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -113.93 168.08 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.061 0.458 . . . . 16.66 111.025 -179.687 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.518 ' N ' HG21 ' A' ' 40' ' ' ILE . 33.7 mt -61.48 165.74 4.59 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.643 -0.708 . . . . 50.0 110.338 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.426 ' CA ' HE21 ' A' ' 42' ' ' GLN . 0.4 OUTLIER -79.67 -55.93 4.66 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.459 -0.791 . . . . 25.0 110.966 -179.361 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.636 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 74.7 m -67.35 -16.02 64.02 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.481 -0.781 . . . . 50.0 109.027 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.773 ' HA ' HD12 ' A' ' 47' ' ' LEU . 1.1 tm-20 -42.11 -20.47 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 115.435 -0.802 . . . . 50.0 110.377 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.811 ' O ' HG21 ' B' ' 3' ' ' THR . . . -72.09 -48.91 40.56 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.914 -0.585 . . . . 25.0 110.681 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 43' ' ' SER . 49.9 mt-10 -87.96 -43.06 12.04 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 114.441 1.274 . . . . 50.0 114.441 -178.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 1.048 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -55.43 -26.02 39.57 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.294 0.479 . . . . 16.66 112.294 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 1.048 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.2 pp -85.76 172.3 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.56 0.695 . . . . 25.0 109.95 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 49.7 t0 -159.23 10.59 0.13 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.695 -1.139 . . . . 50.0 109.41 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -158.29 41.56 0.27 Allowed 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 106.337 -1.727 . . . . 50.0 106.337 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.692 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 27.8 t80 -66.19 146.89 54.11 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.556 -1.202 . . . . 16.66 111.383 -178.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.692 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 21.7 t -135.61 157.3 39.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.149 0 CA-C-N 113.549 -1.659 . . . . 50.0 109.025 178.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 1.231 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 1.8 p -79.06 161.96 66.33 Favored Pre-proline 0 N--CA 1.416 -2.145 0 N-CA-C 108.79 -0.818 . . . . 16.66 108.79 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 21.0 Cg_endo -82.87 -29.32 1.33 Allowed 'Trans proline' 0 C--N 1.276 -3.246 0 C-N-CA 121.721 1.614 . . . . 16.66 111.377 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -73.79 -30.36 62.7 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.537 -0.912 . . . . 50.0 108.537 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.963 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 10.6 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 114.949 -1.023 . . . . 16.66 109.665 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.6 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 37.6 mtm180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.79 0.328 . . . . 0.0 111.507 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.867 ' HG1' ' CD1' ' A' ' 48' ' ' ILE . 18.9 m . . . . . 0 C--N 1.328 -0.337 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.515 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 1.5 m-85 . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 1.072 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 1.2 t -33.66 124.39 0.44 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.201 -1.363 . . . . 16.66 112.975 -178.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.71 HG21 ' CD1' ' A' ' 33' ' ' TYR . 20.2 pt -52.77 -6.99 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-N 112.385 -2.189 . . . . 50.0 109.153 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.042 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -83.12 -3.58 57.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.431 -1.259 . . . . 16.66 109.939 179.587 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 67.7 mttm 67.57 58.14 0.53 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.756 -0.657 . . . . 25.0 112.412 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 m -141.0 121.28 8.66 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 120.866 -0.334 . . . . 50.0 111.292 178.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -50.29 -174.43 0.01 OUTLIER 'Trans proline' 0 N--CA 1.502 1.978 0 C-N-CA 123.359 2.706 . . . . 50.0 113.366 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.515 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -78.9 131.27 36.34 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 121.48 0.657 . . . . 50.0 111.238 -179.296 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.776 ' C ' ' H ' ' A' ' 20' ' ' SER . 94.6 m-20 -141.56 117.02 10.2 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.618 -1.174 . . . . 50.0 108.457 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -53.52 4.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.17 0.509 . . . . 50.0 110.233 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.776 ' H ' ' C ' ' A' ' 18' ' ' ASP . 5.8 m -98.18 -12.79 21.34 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 107.972 -1.121 . . . . 50.0 107.972 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.839 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -111.99 134.67 53.4 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 113.852 -1.522 . . . . 50.0 108.69 179.629 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.46 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 49.0 p90 -112.18 128.87 56.36 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 122.067 0.936 . . . . 16.66 110.759 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.577 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 40.3 m-85 -104.26 174.76 5.73 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 116.3 1.963 . . . . 50.0 116.3 -175.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.935 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -149.51 128.49 3.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 109.482 -3.508 . . . . 16.66 106.571 177.765 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -88.49 122.29 6.3 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 114.75 0.66 . . . . 16.66 114.75 -177.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 1.458 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -49.48 113.38 0.81 Allowed 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.434 -1.691 . . . . 16.66 106.434 175.454 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.598 ' H ' ' HA ' ' A' ' 52' ' ' VAL . 64.2 t0 -62.83 -37.09 85.4 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 121.904 0.859 . . . . 25.0 108.997 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.6 ttt-85 -96.47 -40.94 8.83 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.09 -1.413 . . . . 50.0 110.569 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.313 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.1 -24.31 51.79 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 119.996 -0.682 . . . . 16.66 110.554 -178.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.738 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 68.29 25.03 7.23 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.04 0.755 . . . . 16.66 113.04 178.357 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.588 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 26.3 p30 -134.44 170.86 15.12 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 120.363 -0.535 . . . . 50.0 111.499 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.501 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -120.23 150.17 41.1 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 115.825 1.787 . . . . 16.66 115.825 -175.145 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.71 ' CD1' HG21 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -137.59 160.27 39.65 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.193 -1.367 . . . . 50.0 109.113 174.208 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.842 ' CE1' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -73.85 142.26 46.08 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 105.162 -2.162 . . . . 16.66 105.162 175.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.507 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -42.08 -53.66 4.68 Favored Glycine 0 C--N 1.306 -1.117 0 C-N-CA 119.648 -1.263 . . . . 16.66 112.117 -177.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.513 ' C ' ' H ' ' A' ' 39' ' ' GLY . 2.8 ptt180 -75.22 -20.4 59.27 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 120.575 -0.45 . . . . 50.0 110.054 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 1.072 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.8 t -51.43 -26.75 8.6 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 108.807 -0.812 . . . . 16.66 108.807 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.7 m -121.13 8.1 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.705 -1.134 . . . . 16.66 110.079 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 74.41 47.04 17.79 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-N 115.707 -0.679 . . . . 16.66 111.718 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.507 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -112.35 165.95 6.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.735 -0.386 . . . . 16.66 110.607 -179.335 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.909 ' H ' ' HE2' ' A' ' 44' ' ' GLU . 90.1 mt -59.17 164.57 3.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.298 0.57 . . . . 50.0 109.668 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.453 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.5 OUTLIER -78.78 -55.5 5.12 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.317 -0.856 . . . . 25.0 110.618 -178.513 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.625 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 73.8 m -70.78 -15.79 62.7 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.095 -0.957 . . . . 50.0 109.653 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.909 ' HE2' ' H ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -42.98 -19.13 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.601 -0.727 . . . . 50.0 111.124 -178.158 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.709 ' O ' HG21 ' B' ' 3' ' ' THR . . . -71.15 -50.42 33.59 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.637 -0.425 . . . . 25.0 111.605 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.19 -41.12 13.98 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.235 1.198 . . . . 50.0 114.235 -178.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 1.037 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -56.27 -23.99 39.94 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.12 0.415 . . . . 16.66 112.12 -178.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 1.037 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.1 pp -85.7 171.54 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.417 0.627 . . . . 25.0 109.793 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -160.75 20.29 0.13 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.905 -1.043 . . . . 50.0 109.44 -178.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -169.93 39.61 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 106.05 -1.833 . . . . 50.0 106.05 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.666 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 28.2 t80 -66.15 143.06 57.52 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.454 -1.248 . . . . 16.66 111.487 -178.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.666 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 14.4 t -131.02 159.22 43.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 113.709 -1.587 . . . . 50.0 108.643 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 1.458 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 5.7 p -81.75 159.4 66.39 Favored Pre-proline 0 N--CA 1.413 -2.287 0 CA-C-O 121.252 0.549 . . . . 16.66 109.578 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 26.1 Cg_endo -81.8 -25.71 3.43 Favored 'Trans proline' 0 C--N 1.277 -3.188 0 C-N-CA 121.686 1.59 . . . . 16.66 109.754 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -69.2 -36.45 77.29 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.395 -1.335 . . . . 50.0 107.395 176.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.231 0 CA-C-N 115.112 -0.949 . . . . 16.66 109.661 178.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.551 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 75.4 mtm-85 . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.562 0.22 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.709 HG21 ' O ' ' A' ' 45' ' ' ALA . 15.1 m . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.537 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 17.4 m-85 . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 121.139 0.495 . . . . 25.0 111.418 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.977 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 7.1 t -37.17 137.0 0.39 Allowed 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 122.02 0.914 . . . . 16.66 112.325 -178.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.846 HG21 ' CD2' ' A' ' 33' ' ' TYR . 23.6 pt -52.1 -6.53 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.754 -1.566 . . . . 50.0 107.997 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -87.18 -22.33 25.36 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 113.552 -1.658 . . . . 16.66 110.826 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.586 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 31.4 mttm 82.93 78.99 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.289 0.478 . . . . 25.0 112.289 179.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.929 ' HG1' ' CE1' ' A' ' 34' ' ' HIS . 0.5 OUTLIER -148.77 158.08 40.07 Favored Pre-proline 0 N--CA 1.47 0.561 0 CA-C-O 120.799 0.333 . . . . 50.0 111.7 179.698 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.39 179.12 6.79 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 123.232 2.621 . . . . 50.0 111.991 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.537 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -82.52 131.6 35.21 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 121.466 0.65 . . . . 50.0 110.835 -179.551 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.794 ' C ' ' H ' ' A' ' 20' ' ' SER . 95.7 m-20 -140.38 118.91 12.25 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 114.844 -1.071 . . . . 50.0 109.055 178.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -58.88 8.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.366 0.603 . . . . 50.0 109.528 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.794 ' H ' ' C ' ' A' ' 18' ' ' ASP . 13.7 m -103.24 -10.41 18.77 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.77 -1.196 . . . . 50.0 107.77 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.642 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -115.47 129.48 56.57 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 113.487 -1.688 . . . . 50.0 106.447 179.047 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -108.76 147.22 32.34 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 119.506 -0.878 . . . . 16.66 108.958 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.544 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 43.7 m-85 -122.9 173.08 8.01 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.916 2.191 . . . . 50.0 116.916 -174.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 1.028 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -145.1 128.52 11.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-N 108.899 -3.773 . . . . 16.66 106.907 176.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.447 ' H ' ' HA ' ' B' ' 3' ' ' THR . . . -91.29 121.19 6.22 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 121.242 -0.504 . . . . 16.66 114.277 -176.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 1.461 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.7 OUTLIER -47.67 107.85 0.14 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.344 -0.984 . . . . 16.66 108.344 176.615 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.63 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 88.1 m-20 -65.08 -33.63 76.49 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.381 0.61 . . . . 25.0 109.708 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.73 -24.37 15.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.174 -0.921 . . . . 50.0 110.394 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.288 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -96.27 -29.66 13.88 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 120.132 -0.627 . . . . 16.66 110.391 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.762 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER 82.02 16.12 0.45 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.173 1.175 . . . . 16.66 114.173 178.133 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.509 ' OD1' ' CE2' ' A' ' 33' ' ' TYR . 4.3 p30 -135.92 173.04 12.15 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 119.613 1.097 . . . . 50.0 112.606 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.517 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -114.77 152.11 32.64 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 117.31 2.337 . . . . 16.66 117.31 -174.332 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.846 ' CD2' HG21 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -141.01 161.42 37.89 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-N 114.169 -1.378 . . . . 50.0 109.005 172.865 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.929 ' CE1' ' HG1' ' A' ' 15' ' ' THR . 0.1 OUTLIER -76.66 133.19 39.65 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 106.845 -1.539 . . . . 16.66 106.845 177.46 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.797 ' HA3' HG23 ' A' ' 40' ' ' ILE . . . -41.14 -38.63 1.87 Allowed Glycine 0 C--N 1.304 -1.196 0 C-N-CA 119.724 -1.227 . . . . 16.66 110.373 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.584 ' HD2' ' H ' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -67.62 -34.28 76.66 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 108.798 -0.816 . . . . 50.0 108.798 177.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 1.7 t -69.09 -49.7 54.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.381 -1.282 . . . . 16.66 110.712 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.593 HG11 ' HA2' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -81.92 -22.39 9.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 114.25 -1.341 . . . . 16.66 109.85 -179.796 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 86.11 44.64 5.9 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 109.693 -1.363 . . . . 16.66 109.693 -178.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.797 HG23 ' HA3' ' A' ' 35' ' ' GLY . 2.0 tp -106.6 164.12 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-O 121.2 0.524 . . . . 16.66 111.588 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.769 ' O ' HG21 ' A' ' 40' ' ' ILE . 78.8 mt -63.52 166.78 6.27 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.126 -0.943 . . . . 50.0 108.937 177.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.457 ' HA ' HE21 ' A' ' 42' ' ' GLN . 0.5 OUTLIER -77.74 -54.93 5.77 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 120.03 -0.668 . . . . 25.0 111.114 -178.56 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.457 ' C ' ' N ' ' A' ' 45' ' ' ALA . 50.7 m -70.17 -16.66 63.11 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.347 -0.842 . . . . 50.0 110.127 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.888 ' HA ' HD12 ' A' ' 47' ' ' LEU . 2.8 mt-10 -45.62 -18.3 0.04 OUTLIER 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.432 -0.507 . . . . 50.0 110.994 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.921 ' O ' HG21 ' B' ' 3' ' ' THR . . . -56.0 -58.65 7.01 Favored 'General case' 0 C--N 1.309 -1.175 0 C-N-CA 120.169 -0.612 . . . . 25.0 110.955 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -89.48 -42.64 11.35 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.776 1.769 . . . . 50.0 115.776 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.888 HD12 ' HA ' ' A' ' 44' ' ' GLU . 3.3 pp -55.08 -28.45 52.5 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.661 1.356 . . . . 16.66 114.661 -175.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.91 ' CD1' ' HG1' ' B' ' 3' ' ' THR . 1.7 pp -85.3 172.52 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-O 121.726 0.774 . . . . 25.0 110.07 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -159.0 6.92 0.11 Allowed 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.391 -1.277 . . . . 50.0 109.373 -179.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -147.97 34.28 0.83 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.157 -1.383 . . . . 50.0 107.387 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.68 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 5.7 t80 -66.0 147.08 53.91 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 115.226 -0.897 . . . . 16.66 109.787 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.68 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 21.6 t -134.79 155.92 39.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-N 114.569 -1.196 . . . . 50.0 109.576 178.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 1.461 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 5.9 p -76.9 157.56 81.51 Favored Pre-proline 0 N--CA 1.415 -2.216 0 CA-C-O 121.454 0.645 . . . . 16.66 110.046 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 27.4 Cg_endo -79.35 -27.78 4.08 Favored 'Trans proline' 0 C--N 1.276 -3.237 0 C-N-CA 121.921 1.747 . . . . 16.66 110.738 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -72.18 -32.58 66.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.107 -1.071 . . . . 50.0 108.107 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 1.138 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 3.5 m . . . . . 0 N--CA 1.455 -0.183 0 CA-C-N 114.777 -1.101 . . . . 16.66 110.573 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.63 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 85.0 mtm-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.706 0.288 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.921 HG21 ' O ' ' A' ' 45' ' ' ALA . 24.5 m . . . . . 0 C--N 1.326 -0.42 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 14.8 m-85 . . . . . 0 CA--C 1.534 0.344 0 CA-C-O 121.825 0.822 . . . . 25.0 111.686 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 1.141 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -34.37 128.85 0.41 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.323 -1.308 . . . . 16.66 112.498 -178.665 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.793 HG21 ' CD2' ' A' ' 33' ' ' TYR . 27.6 pt -50.14 -6.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 113.121 -1.854 . . . . 50.0 109.201 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.035 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -87.8 -3.72 58.93 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.668 -1.151 . . . . 16.66 110.79 -179.853 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 43.1 mttp 69.41 79.22 0.2 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.702 HG22 ' HE2' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -160.67 143.42 9.67 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 120.79 -0.364 . . . . 50.0 111.222 179.03 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.49 -170.05 0.54 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.648 2.232 . . . . 50.0 111.051 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.558 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -82.79 129.6 35.01 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.598 0.713 . . . . 50.0 111.195 -179.175 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.795 ' C ' ' H ' ' A' ' 20' ' ' SER . 80.9 m-20 -140.47 115.14 9.51 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.485 -1.234 . . . . 50.0 108.939 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -56.6 6.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.311 0.577 . . . . 50.0 109.683 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.795 ' H ' ' C ' ' A' ' 18' ' ' ASP . 55.9 m -100.63 -5.64 26.37 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.517 -1.29 . . . . 50.0 107.517 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.715 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 1.4 tptp -123.99 130.49 52.66 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 113.13 -1.85 . . . . 50.0 106.858 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 46.6 p90 -112.12 132.05 55.09 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 122.051 0.929 . . . . 16.66 111.05 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.608 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 26.1 m-85 -108.05 174.87 5.69 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 116.76 2.134 . . . . 50.0 116.76 -175.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.986 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -148.02 137.07 15.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 CA-C-N 108.894 -3.775 . . . . 16.66 105.972 177.634 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.09 124.27 8.19 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 120.252 -0.975 . . . . 16.66 114.889 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 1.266 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -47.86 122.18 4.78 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.65 0.78 . . . . 16.66 109.433 176.753 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.546 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 76.1 m-20 -58.17 -38.55 76.88 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.007 -0.677 . . . . 25.0 111.078 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.554 ' HD3' ' H ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -112.51 -30.08 7.26 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 120.977 -0.289 . . . . 50.0 110.611 179.523 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.266 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -71.14 -21.85 62.14 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 108.38 -0.97 . . . . 16.66 108.38 179.002 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.694 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 65.26 16.12 10.37 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.671 1.36 . . . . 16.66 114.671 177.228 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -135.01 173.28 11.9 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 114.299 1.222 . . . . 50.0 114.299 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.498 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -108.11 145.88 33.45 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 117.621 2.452 . . . . 16.66 117.621 -173.47 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.793 ' CD2' HG21 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -138.55 155.23 48.56 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.129 -1.851 . . . . 50.0 108.599 172.676 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.845 ' ND1' ' SG ' ' A' ' 37' ' ' CYS . 1.4 m80 -69.46 141.44 54.0 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 105.891 -1.892 . . . . 16.66 105.891 177.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.484 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -42.91 -45.48 5.92 Favored Glycine 0 C--N 1.308 -0.992 0 C-N-CA 119.61 -1.281 . . . . 16.66 111.417 -178.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.506 ' HG3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -81.25 -19.92 42.08 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.317 -0.623 . . . . 50.0 109.317 178.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 1.141 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER -51.84 -25.07 7.05 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.702 -0.851 . . . . 16.66 108.702 179.51 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.27 11.07 4.36 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 CA-C-N 115.206 -0.907 . . . . 16.66 110.829 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.36 47.06 30.65 Favored Glycine 0 N--CA 1.465 0.574 0 C-N-CA 121.182 -0.533 . . . . 16.66 112.768 178.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.598 HG12 ' HE2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -111.08 165.8 6.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 121.159 -0.216 . . . . 16.66 110.682 -179.471 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.506 ' N ' ' OE2' ' A' ' 44' ' ' GLU . 9.1 mp -60.34 165.45 3.58 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.407 0.623 . . . . 50.0 110.046 178.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.58 -56.99 4.0 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.085 -0.961 . . . . 25.0 110.861 -178.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.56 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 15.7 t -70.47 -16.0 62.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.58 -0.736 . . . . 50.0 109.212 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.789 ' HA ' HD12 ' A' ' 47' ' ' LEU . 2.7 tt0 -43.37 -18.76 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.3 -0.864 . . . . 50.0 111.408 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.829 ' O ' HG21 ' B' ' 3' ' ' THR . . . -68.51 -50.86 48.94 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 120.417 -0.513 . . . . 25.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -86.61 -43.07 12.94 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.154 1.168 . . . . 50.0 114.154 -178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 1.105 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.1 pp -55.28 -25.1 31.82 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.204 0.446 . . . . 16.66 112.204 -177.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 1.105 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.3 pp -84.92 172.13 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 120.247 -0.581 . . . . 25.0 109.438 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -156.72 12.72 0.26 Allowed 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.101 -0.954 . . . . 50.0 109.453 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -164.81 43.95 0.09 Allowed 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 106.151 -1.796 . . . . 50.0 106.151 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.811 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 8.6 t80 -65.62 148.29 51.99 Favored 'General case' 0 CA--C 1.498 -1.056 0 CA-C-N 114.818 -1.083 . . . . 16.66 110.55 -178.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.811 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 38.2 t -131.2 158.68 43.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-N 114.103 -1.408 . . . . 50.0 110.648 179.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 1.135 ' SG ' ' CB ' ' A' ' 56' ' ' CYS . 3.0 p -78.67 161.02 70.87 Favored Pre-proline 0 N--CA 1.415 -2.183 0 N-CA-C 109.15 -0.685 . . . . 16.66 109.15 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.483 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 38.4 Cg_endo -77.11 -37.21 1.13 Allowed 'Trans proline' 0 C--N 1.273 -3.403 0 C-N-CA 121.427 1.418 . . . . 16.66 111.508 -178.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -69.07 -29.77 67.96 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.007 -1.109 . . . . 50.0 108.007 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 62.3 m . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 114.188 -1.369 . . . . 16.66 111.186 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.546 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 35.8 mtm180 . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.807 0.337 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.829 HG21 ' O ' ' A' ' 45' ' ' ALA . 18.3 m . . . . . 0 C--N 1.327 -0.382 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.151 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.568 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 19.8 m-85 . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 121.175 0.512 . . . . 25.0 111.371 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.949 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 12.4 t -35.94 137.66 0.22 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.92 0.867 . . . . 16.66 112.396 -178.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.67 HG21 ' CD1' ' A' ' 33' ' ' TYR . 14.2 pt -51.96 -7.17 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 113.834 -1.53 . . . . 50.0 107.609 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -87.43 -20.1 27.11 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 113.187 -1.824 . . . . 16.66 110.818 -179.504 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 61.9 mttp 76.97 79.52 0.08 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.592 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 39.0 p -148.26 148.73 30.03 Favored Pre-proline 0 N--CA 1.468 0.454 0 CA-C-O 120.755 0.312 . . . . 50.0 111.459 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.27 170.08 19.16 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 123.049 2.499 . . . . 50.0 111.773 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.568 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 1.0 OUTLIER -75.01 130.52 39.49 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 121.562 0.696 . . . . 50.0 111.185 -179.097 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.701 ' C ' ' H ' ' A' ' 20' ' ' SER . 99.5 m-20 -140.96 129.17 22.21 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.622 -1.172 . . . . 50.0 109.116 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.484 ' H ' ' CD ' ' A' ' 19' ' ' GLU . 23.1 mp0 -66.07 8.75 0.18 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.934 -0.765 . . . . 50.0 108.934 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.701 ' H ' ' C ' ' A' ' 18' ' ' ASP . 38.5 m -100.7 -20.07 15.77 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.45 -1.315 . . . . 50.0 107.45 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.79 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -105.51 129.77 53.72 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 106.367 -1.716 . . . . 50.0 106.367 178.305 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.473 ' HD2' ' HB3' ' A' ' 45' ' ' ALA . 51.3 p90 -106.25 149.59 26.74 Favored 'General case' 0 CA--C 1.496 -1.105 0 C-N-CA 119.34 -0.944 . . . . 16.66 109.291 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.516 ' CE1' ' CE1' ' A' ' 17' ' ' TYR . 87.8 m-85 -123.51 167.84 13.37 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 117.308 2.336 . . . . 50.0 117.308 -173.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.945 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.3 128.02 7.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 CA-C-N 109.264 -3.607 . . . . 16.66 106.557 176.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -92.01 126.05 8.34 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 120.743 -0.741 . . . . 16.66 114.12 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 1.446 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 2.0 t -48.35 108.43 0.17 Allowed 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.993 -1.114 . . . . 16.66 107.993 176.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.511 ' CB ' HG23 ' A' ' 52' ' ' VAL . 22.4 t70 -50.14 -38.16 37.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.434 -0.506 . . . . 25.0 110.499 -178.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.54 ' C ' HE21 ' A' ' 30' ' ' GLN . 0.1 OUTLIER -103.93 -37.03 7.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.04 -0.527 . . . . 50.0 110.574 179.495 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 1.341 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.32 -8.88 58.36 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.991 0.424 . . . . 16.66 110.858 -178.366 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.548 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 10.4 mm-40 48.95 29.83 2.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.756 -0.656 . . . . 16.66 112.544 178.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.63 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 19.9 p30 -134.74 169.15 17.78 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 119.59 -0.844 . . . . 50.0 111.207 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.512 ' HD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -120.69 151.19 39.83 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 116.825 2.158 . . . . 16.66 116.825 -173.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.678 ' OH ' ' HB2' ' A' ' 53' ' ' CYS . 0.1 OUTLIER -140.16 166.99 23.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.855 -1.52 . . . . 50.0 109.553 173.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.79 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -75.73 137.53 40.67 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 105.525 -2.028 . . . . 16.66 105.525 176.071 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.589 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -42.04 -40.61 3.37 Favored Glycine 0 C--N 1.304 -1.239 0 C-N-CA 119.454 -1.355 . . . . 16.66 112.166 -177.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -81.71 -21.87 37.73 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.208 -0.664 . . . . 50.0 109.208 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 4.6 t -52.31 -25.89 10.74 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 108.659 -0.867 . . . . 16.66 108.659 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.1 m -121.23 12.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 114.629 -1.168 . . . . 16.66 110.166 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 70.52 47.34 42.77 Favored Glycine 0 N--CA 1.462 0.408 0 CA-C-N 115.665 -0.698 . . . . 16.66 112.376 178.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.589 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -116.73 169.14 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.14 0.495 . . . . 16.66 111.691 -179.084 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.521 ' N ' HG21 ' A' ' 40' ' ' ILE . 18.5 mt -60.51 166.38 3.18 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.388 -0.824 . . . . 50.0 111.074 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.476 HE21 ' HB3' ' A' ' 42' ' ' GLN . 2.8 tt0 -78.52 -54.18 6.43 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.618 -1.174 . . . . 25.0 110.042 -179.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 45' ' ' ALA . 24.8 m -70.85 -16.52 62.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.755 -1.111 . . . . 50.0 109.86 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.867 ' O ' ' HB ' ' A' ' 48' ' ' ILE . 1.4 mm-40 -42.16 -17.0 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.872 -0.604 . . . . 50.0 110.698 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.89 ' O ' HG21 ' B' ' 3' ' ' THR . . . -82.53 -54.69 4.98 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.347 -0.388 . . . . 25.0 112.028 -179.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.615 ' C ' ' H ' ' A' ' 48' ' ' ILE . 55.3 mp0 -77.6 -51.48 10.58 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.659 0.985 . . . . 50.0 113.659 -177.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -72.05 15.13 0.17 Allowed 'General case' 0 CA--C 1.494 -1.181 0 CA-C-O 121.054 0.454 . . . . 16.66 110.354 -179.352 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.958 ' CG2' ' HG1' ' B' ' 3' ' ' THR . 0.3 OUTLIER -112.08 149.8 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 CA-C-N 115.26 -0.882 . . . . 25.0 113.214 -176.061 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.811 ' H ' HD11 ' A' ' 48' ' ' ILE . 60.3 t0 -166.54 36.65 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.466 -1.243 . . . . 50.0 110.09 -178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.479 ' H ' HD13 ' A' ' 48' ' ' ILE . 23.1 pt-20 -168.96 11.11 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.995 -0.743 . . . . 50.0 108.995 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.659 ' HH ' ' HA ' ' A' ' 53' ' ' CYS . 5.8 t80 -68.97 147.46 51.58 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 115.535 -0.757 . . . . 16.66 111.005 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.604 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 39.3 t -134.07 159.9 42.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 114.79 -1.095 . . . . 50.0 108.811 177.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 1.446 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.5 p -78.64 155.07 78.64 Favored Pre-proline 0 N--CA 1.413 -2.29 0 CA-C-O 121.488 0.661 . . . . 16.66 109.672 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -76.13 -30.5 5.57 Favored 'Trans proline' 0 C--N 1.277 -3.224 0 C-N-CA 121.839 1.693 . . . . 16.66 111.202 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.669 ' NE2' HG23 ' A' ' 12' ' ' ILE . 52.2 mt-30 -69.26 -32.39 71.55 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.632 -1.247 . . . . 50.0 107.632 177.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 1.16 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 5.6 m . . . . . 0 N--CA 1.452 -0.362 0 CA-C-N 114.205 -1.361 . . . . 16.66 110.32 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.544 ' NH2' ' O ' ' A' ' 26' ' ' CYS . 10.6 ttp-105 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 121.078 0.466 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' THR . . . . . 0.958 ' HG1' ' CG2' ' A' ' 48' ' ' ILE . 33.5 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.784 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -54.85 134.05 61.01 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.613 2.209 . . . . 0.0 111.929 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.7 mt -110.69 139.17 46.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.525 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.72 -80.82 1.52 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.715 -0.954 . . . . 50.0 110.715 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 m -129.79 144.2 51.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.706 0.289 . . . . 50.0 110.405 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -89.02 110.48 21.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 50.0 110.46 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.1 p -130.52 167.09 19.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.15 -0.477 . . . . 50.0 110.689 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -129.15 178.56 6.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.837 -0.62 . . . . 50.0 110.41 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.789 HD23 ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -122.37 -175.2 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.815 -0.629 . . . . 50.0 110.681 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.789 ' N ' HD23 ' A' ' 9' ' ' LEU . 8.7 m-85 -67.33 -109.68 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 -178.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.99 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 43.1 t -36.39 134.21 0.46 Allowed 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.281 1.039 . . . . 16.66 113.045 -177.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.728 HG21 ' CD1' ' A' ' 33' ' ' TYR . 7.5 pt -59.91 -7.39 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 113.328 -1.76 . . . . 50.0 108.03 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.99 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -92.46 25.21 3.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 113.546 -1.661 . . . . 16.66 111.326 -178.734 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 47.8 pttt 42.45 72.39 0.18 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.466 ' H ' ' CD2' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -151.95 123.57 3.81 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 116.227 -0.442 . . . . 50.0 110.409 178.542 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -69.55 177.18 5.69 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 122.288 1.992 . . . . 50.0 111.955 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.766 ' CE1' HM32 ' B' ' 4' ' ' M3L . 0.6 OUTLIER -61.85 133.28 55.27 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.663 0.745 . . . . 50.0 111.231 -179.123 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.823 ' C ' ' H ' ' A' ' 20' ' ' SER . 77.5 m-20 -141.24 114.26 8.54 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 114.433 -1.258 . . . . 50.0 107.768 177.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.15 7.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.145 0.498 . . . . 50.0 110.246 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.823 ' H ' ' C ' ' A' ' 18' ' ' ASP . 2.6 t -105.82 -7.34 18.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.872 -1.159 . . . . 50.0 107.872 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.673 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 3.7 tptp -115.26 131.76 56.83 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 113.923 -1.489 . . . . 50.0 108.142 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.457 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 46.6 p90 -109.68 141.29 42.47 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.127 -0.694 . . . . 16.66 109.127 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.903 ' CG ' HM13 ' B' ' 4' ' ' M3L . 24.2 m-85 -116.8 175.74 5.44 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 116.532 2.049 . . . . 50.0 116.532 -175.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.938 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.98 128.86 6.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-N 109.161 -3.654 . . . . 16.66 106.464 177.564 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -88.46 126.29 8.06 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 120.955 -0.641 . . . . 16.66 114.201 -177.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.423 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.7 t -47.72 113.23 0.67 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.97 -1.492 . . . . 16.66 106.97 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.614 ' HB3' HG23 ' A' ' 52' ' ' VAL . 22.1 t70 -63.13 -35.43 80.25 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.647 0.737 . . . . 25.0 109.617 -178.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.619 ' HD3' ' HG1' ' A' ' 59' ' ' THR . 21.5 ttm-85 -102.51 -27.28 12.87 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 114.555 -1.202 . . . . 50.0 110.563 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.327 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -89.45 -28.12 19.92 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 119.751 -0.78 . . . . 16.66 110.397 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.769 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER 74.08 25.65 1.8 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.773 0.657 . . . . 16.66 112.773 178.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.617 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 25.6 p30 -133.58 169.71 16.6 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 121.749 -0.594 . . . . 50.0 111.353 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.816 ' CB ' HM12 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -118.09 149.22 41.37 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 116.59 2.07 . . . . 16.66 116.59 -174.377 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.728 ' CD1' HG21 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -140.46 165.18 28.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 113.936 -1.484 . . . . 50.0 108.606 173.58 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.673 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -71.68 143.37 49.72 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 106.501 -1.666 . . . . 16.66 106.501 176.4 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -42.31 -49.66 5.57 Favored Glycine 0 C--N 1.307 -1.052 0 C-N-CA 119.72 -1.229 . . . . 16.66 111.517 -178.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.491 ' C ' ' H ' ' A' ' 39' ' ' GLY . 3.1 ptt180 -76.41 -20.41 57.13 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.033 0.444 . . . . 50.0 109.912 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.943 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 4.5 t -50.95 -28.05 8.94 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.722 -0.844 . . . . 16.66 108.722 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.6 m -117.2 13.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 114.828 -1.078 . . . . 16.66 110.104 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.02 46.71 34.87 Favored Glycine 0 CA--C 1.52 0.4 0 CA-C-N 115.311 -0.859 . . . . 16.66 112.37 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.502 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -114.79 168.04 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.169 0.509 . . . . 16.66 111.303 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.492 ' N ' HG21 ' A' ' 40' ' ' ILE . 29.8 mt -62.01 166.01 5.03 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.344 -0.844 . . . . 50.0 110.934 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.421 ' CA ' HE21 ' A' ' 42' ' ' GLN . 0.6 OUTLIER -79.29 -55.33 5.16 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.113 -0.949 . . . . 25.0 110.762 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 46' ' ' GLU . 47.2 t -66.18 -16.96 64.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.39 -0.823 . . . . 50.0 109.344 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 1.055 ' O ' ' HB ' ' A' ' 48' ' ' ILE . 1.1 mm-40 -44.2 -19.76 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.386 -0.824 . . . . 50.0 110.548 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.907 ' O ' HG21 ' B' ' 3' ' ' THR . . . -74.67 -38.93 62.3 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 120.489 -0.484 . . . . 25.0 110.23 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.634 ' C ' ' H ' ' A' ' 48' ' ' ILE . 85.2 tt0 -87.54 -53.06 5.0 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.99 0.737 . . . . 50.0 112.99 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 44' ' ' GLU . 4.3 pp -66.74 12.49 0.07 Allowed 'General case' 0 CA--C 1.494 -1.205 0 CA-C-N 115.746 -0.661 . . . . 16.66 111.028 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 1.055 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -117.26 150.37 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 119.426 -0.91 . . . . 25.0 113.148 -176.425 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.861 ' C ' ' H2 ' ' B' ' 1' ' ' ALA . 61.3 t0 -169.19 27.78 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.64 -1.164 . . . . 50.0 110.238 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.603 ' CA ' ' HB3' ' B' ' 1' ' ' ALA . 3.1 mt-10 -161.5 14.76 0.1 Allowed 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.137 -1.06 . . . . 50.0 108.137 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.635 ' HH ' ' HA ' ' A' ' 53' ' ' CYS . 2.3 t80 -68.07 147.3 52.55 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 115.135 -0.939 . . . . 16.66 110.7 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.614 HG23 ' HB3' ' A' ' 27' ' ' ASP . 14.3 t -131.65 159.93 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.96 0 CA-C-N 114.61 -1.177 . . . . 50.0 108.601 177.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.423 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 8.2 p -80.42 155.64 73.97 Favored Pre-proline 0 N--CA 1.415 -2.213 0 CA-C-O 121.431 0.634 . . . . 16.66 110.117 -178.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -79.1 -23.12 7.99 Favored 'Trans proline' 0 C--N 1.273 -3.402 0 C-N-CA 121.97 1.78 . . . . 16.66 110.874 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -74.19 -38.99 63.47 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.616 -0.883 . . . . 50.0 108.616 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -86.85 -48.08 8.49 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.292 -0.867 . . . . 16.66 110.757 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.419 ' CB ' ' O ' ' A' ' 53' ' ' CYS . 31.5 tt0 -54.27 -31.09 52.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.352 -0.385 . . . . 50.0 111.047 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -48.26 -36.76 14.61 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.664 -0.414 . . . . 50.0 110.286 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.619 ' HG1' ' HD3' ' A' ' 28' ' ' ARG . 48.5 p -70.09 -37.18 75.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.413 . . . . 50.0 110.374 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.561 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 96.9 mt-10 -65.19 -33.08 75.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.307 -0.406 . . . . 50.0 110.595 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.561 ' OD1' ' O ' ' A' ' 60' ' ' GLU . 35.1 p30 31.0 41.82 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.019 -0.537 . . . . 50.0 111.293 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . . . . . . 0 C--O 1.218 -0.567 0 CA-C-O 118.032 -0.985 . . . . 50.0 110.636 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.861 ' H2 ' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 93.1 mtm-85 -86.55 56.74 4.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.365 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.907 HG21 ' O ' ' A' ' 45' ' ' ALA . 24.5 m -62.26 130.17 44.1 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.351 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' M3L . . . . . 0.903 HM13 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.59 178.32 6.4 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.028 0.442 . . . . 0.0 111.537 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.6 t -131.52 158.85 39.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.732 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.1 37.1 0.69 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.382 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -55.63 -35.29 65.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.012 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -56.54 -36.45 69.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.066 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 53.7 p -81.4 149.17 28.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.72 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -97.6 -70.27 0.73 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.477 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.32 101.11 0.15 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.45 133.51 12.55 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -59.89 -35.64 75.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 110.554 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.465 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.46 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.432 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 18.7 Cg_endo -60.43 138.51 81.09 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.608 2.205 . . . . 0.0 112.032 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.8 mt -122.06 -113.72 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.314 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.8 38.35 1.72 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.929 -0.868 . . . . 50.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.514 ' O ' ' OD2' ' A' ' 6' ' ' ASP . 35.9 m -58.65 -40.01 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.107 -0.237 . . . . 50.0 110.935 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.514 ' OD2' ' O ' ' A' ' 5' ' ' SER . 74.1 m-20 -156.39 -14.1 0.1 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.599 -0.273 . . . . 50.0 111.216 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.6 p -122.6 166.1 15.39 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.661 0.267 . . . . 50.0 110.774 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.99 -177.34 3.91 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.216 0.531 . . . . 50.0 111.564 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.862 HD11 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -121.54 -170.77 2.09 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.341 -0.845 . . . . 50.0 110.67 -179.682 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.737 ' N ' HD23 ' A' ' 9' ' ' LEU . 2.2 m-85 -53.05 -124.09 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 -177.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 1.4 t -33.14 126.52 0.34 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 114.035 -1.438 . . . . 16.66 113.578 -177.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.694 HG21 ' CD1' ' A' ' 33' ' ' TYR . 27.1 pt -52.79 -6.91 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 CA-C-N 112.234 -2.257 . . . . 50.0 109.106 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.009 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER -90.42 7.92 36.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.199 -1.364 . . . . 16.66 109.27 179.427 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' CYS . 7.9 ptmm? 50.68 70.97 0.46 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 114.566 -1.197 . . . . 25.0 114.219 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.543 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 1.5 p -147.68 122.12 5.03 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 116.703 -0.226 . . . . 50.0 110.688 177.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -48.75 -174.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 123.272 2.648 . . . . 50.0 112.732 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.759 ' CE2' HM22 ' B' ' 4' ' ' M3L . 0.8 OUTLIER -77.58 130.77 37.33 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 121.522 0.677 . . . . 50.0 110.868 -179.478 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.78 ' C ' ' H ' ' A' ' 20' ' ' SER . 85.4 m-20 -141.04 116.95 10.44 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.757 -1.11 . . . . 50.0 108.384 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -57.7 8.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.447 -0.575 . . . . 50.0 109.447 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.78 ' H ' ' C ' ' A' ' 18' ' ' ASP . 49.6 m -102.95 -3.64 25.83 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.211 -1.403 . . . . 50.0 107.211 178.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.899 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 5.9 tptt -127.15 131.03 50.83 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 113.326 -1.761 . . . . 50.0 107.299 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 46.7 p90 -110.66 136.89 49.06 Favored 'General case' 0 CA--C 1.496 -1.101 0 CA-C-O 121.937 0.875 . . . . 16.66 110.928 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.649 ' CG ' ' CM3' ' B' ' 4' ' ' M3L . 43.2 m-85 -111.31 174.47 5.85 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 116.462 2.023 . . . . 50.0 116.462 -175.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.974 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.19 134.51 16.06 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 CA-C-N 109.351 -3.568 . . . . 16.66 106.176 176.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -97.46 122.62 7.52 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 120.803 -0.713 . . . . 16.66 114.13 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.316 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 4.7 t -51.61 125.31 14.38 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.853 -0.795 . . . . 16.66 108.853 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.543 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 60.6 t0 -60.62 -37.75 82.46 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.047 -0.661 . . . . 25.0 110.256 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -103.04 -29.89 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.947 -0.57 . . . . 50.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.316 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -88.2 0.12 56.45 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.102 0.477 . . . . 16.66 110.295 -178.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 4.8 pt20 30.68 34.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.255 -0.884 . . . . 16.66 112.218 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.555 ' OD1' ' OH ' ' A' ' 33' ' ' TYR . 21.2 p30 -133.49 170.59 15.28 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 120.511 -0.476 . . . . 50.0 110.989 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.976 ' CD1' HM13 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -123.82 151.18 43.66 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 116.622 2.082 . . . . 16.66 116.622 -173.53 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.716 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -139.12 158.52 44.04 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 113.589 -1.641 . . . . 50.0 108.909 173.488 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.899 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -71.5 140.37 49.93 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 106.121 -1.807 . . . . 16.66 106.121 176.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.545 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -43.14 -46.11 6.38 Favored Glycine 0 C--N 1.308 -1.005 0 C-N-CA 119.607 -1.282 . . . . 16.66 111.476 -178.167 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -79.88 -20.31 46.17 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.597 -0.519 . . . . 50.0 109.597 179.192 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER -51.78 -27.01 10.87 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.893 -0.723 . . . . 16.66 109.102 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.4 m -123.39 10.49 5.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.212 -0.904 . . . . 16.66 110.653 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.36 45.81 36.54 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 115.431 -0.804 . . . . 16.66 112.562 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.545 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -109.7 167.59 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.643 -0.423 . . . . 16.66 110.942 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.542 HD13 ' N ' ' A' ' 41' ' ' LEU . 8.0 mp -60.2 164.62 4.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 50.0 110.232 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.28 -55.54 5.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.591 -178.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.646 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 74.9 m -70.19 -15.95 63.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.384 -0.825 . . . . 50.0 109.245 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.794 ' HA ' HD12 ' A' ' 47' ' ' LEU . 1.1 tm-20 -41.14 -20.1 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.159 -0.928 . . . . 50.0 111.049 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.733 ' O ' HG21 ' B' ' 3' ' ' THR . . . -74.79 -47.36 31.23 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 120.55 -0.46 . . . . 25.0 111.147 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.482 ' N ' HE22 ' B' ' 5' ' ' GLN . 86.0 tt0 -86.86 -44.51 11.64 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.89 1.07 . . . . 50.0 113.89 -178.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 1.028 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -55.35 -24.48 29.66 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.036 0.384 . . . . 16.66 112.036 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 1.028 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.3 pp -85.87 171.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.589 0.709 . . . . 25.0 109.984 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.411 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 56.9 t0 -161.35 12.76 0.09 Allowed 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.642 -1.163 . . . . 50.0 109.115 -178.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -158.28 41.12 0.26 Allowed 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 105.804 -1.924 . . . . 50.0 105.804 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.716 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 63.4 t80 -66.24 146.55 54.48 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 114.418 -1.265 . . . . 16.66 112.063 -177.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.716 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 20.0 t -137.18 156.8 34.45 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 CA-C-N 113.124 -1.853 . . . . 50.0 109.035 178.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.234 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 1.6 p -79.25 162.47 63.87 Favored Pre-proline 0 N--CA 1.417 -2.109 0 N-CA-C 108.539 -0.911 . . . . 16.66 108.539 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 17.3 Cg_endo -82.73 -28.84 1.55 Allowed 'Trans proline' 0 C--N 1.277 -3.186 0 C-N-CA 121.672 1.581 . . . . 16.66 111.399 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.406 HE21 ' HA ' ' A' ' 55' ' ' GLN . 1.4 mm-40 -76.08 -28.33 57.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.558 -0.746 . . . . 50.0 109.03 177.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.967 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 15.5 m -63.98 -35.65 81.39 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.573 -0.74 . . . . 16.66 109.894 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -55.06 -32.81 62.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.705 -0.679 . . . . 50.0 110.38 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.8 t -58.29 -29.09 65.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.931 -0.577 . . . . 50.0 110.711 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -125.7 2.57 7.5 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 111.867 0.321 . . . . 50.0 111.867 -179.164 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' CYS . 4.9 mm-40 -38.81 103.11 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.985 0.421 . . . . 50.0 110.804 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.449 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 58.1 t0 -57.13 -37.04 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.786 -0.643 . . . . 50.0 110.51 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 61' ' ' ASP . . . . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.13 -0.938 . . . . 50.0 110.484 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.543 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 23.3 mtm180 -95.47 48.87 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.79 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.733 HG21 ' O ' ' A' ' 45' ' ' ALA . 17.2 m -61.85 133.33 55.33 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' M3L . . . . . 0.976 HM13 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.372 . . . . 0.0 110.226 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.654 HE21 ' HB2' ' A' ' 45' ' ' ALA . 80.0 mt-30 -128.2 167.89 16.22 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.993 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.444 ' O ' ' C ' ' B' ' 7' ' ' ALA . 1.6 t -74.44 165.84 24.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.771 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' B' ' 6' ' ' THR . . . 34.06 63.24 0.42 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' B' ' 8' ' ' ARG . 56.8 mtm180 -57.1 -48.29 78.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.565 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -149.96 153.57 36.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.749 0.309 . . . . 0.0 110.992 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.622 ' C ' ' H ' ' B' ' 12' ' ' GLY . 27.7 t -144.52 143.26 30.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.514 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 57.56 -2.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.622 ' H ' ' C ' ' B' ' 10' ' ' SER . . . 66.58 -134.4 32.9 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.24 -158.93 38.6 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.643 ' O ' ' HB1' ' B' ' 15' ' ' ALA . 26.6 mtmm 63.12 49.32 3.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.741 0.305 . . . . 0.0 110.643 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.643 ' HB1' ' O ' ' B' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.564 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.529 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.421 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.759 ' H1 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.759 ' HD3' ' H1 ' ' A' ' 1' ' ' GLY . 19.6 Cg_endo -59.78 140.4 93.1 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.76 2.307 . . . . 0.0 111.958 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.853 HD23 ' N ' ' A' ' 3' ' ' LEU . 1.5 mm? -90.29 2.21 55.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.69 169.62 23.1 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.052 -0.819 . . . . 50.0 111.052 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -151.93 -118.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 50.0 110.639 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.527 ' OD1' HG23 ' A' ' 7' ' ' THR . 32.8 p-10 -61.14 -35.17 76.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 50.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.527 HG23 ' OD1' ' A' ' 6' ' ' ASP . 44.2 p -82.7 162.65 21.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.433 -0.349 . . . . 50.0 110.368 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -92.84 -178.4 4.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.128 0.49 . . . . 50.0 110.8 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.6 mt -107.56 162.83 13.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.603 -0.726 . . . . 50.0 111.254 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.549 ' CD1' ' HD1' ' A' ' 32' ' ' TRP . 19.2 m-85 -114.86 -93.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.73 -0.668 . . . . 25.0 111.221 -178.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.958 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 8.1 t -36.24 134.92 0.39 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.974 0.892 . . . . 16.66 111.964 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.703 HG23 ' NE2' ' A' ' 55' ' ' GLN . 16.6 pt -51.1 -7.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 113.852 -1.522 . . . . 50.0 108.156 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.958 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -85.72 -25.12 26.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 113.554 -1.657 . . . . 16.66 110.852 -179.572 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.612 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 21.1 mttp 83.31 78.89 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.212 0.449 . . . . 25.0 112.212 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.549 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 43.2 p -148.67 148.54 28.36 Favored Pre-proline 0 N--CA 1.468 0.471 0 C-N-CA 121.126 -0.23 . . . . 50.0 111.479 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -70.18 168.63 21.57 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.965 2.444 . . . . 50.0 111.64 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.772 ' CE1' HM12 ' B' ' 4' ' ' M3L . 1.1 t80 -72.21 118.82 15.56 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 120.372 -0.531 . . . . 50.0 110.908 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.78 ' C ' ' H ' ' A' ' 20' ' ' SER . 0.5 OUTLIER -121.36 120.61 35.54 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.873 -0.788 . . . . 50.0 108.873 178.025 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.6 5.52 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.897 -0.779 . . . . 50.0 108.897 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.78 ' H ' ' C ' ' A' ' 18' ' ' ASP . 37.2 m -103.19 -14.83 16.21 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 114.83 -1.077 . . . . 50.0 108.183 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.66 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -106.29 130.42 54.14 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 106.805 -1.554 . . . . 50.0 106.805 179.118 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 36.9 p90 -107.97 148.9 29.05 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 108.566 -0.901 . . . . 16.66 108.566 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.88 ' HB2' ' HB3' ' B' ' 4' ' ' M3L . 14.8 m-85 -126.99 175.49 8.04 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 124.385 2.04 . . . . 50.0 115.605 -175.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 1.019 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -143.69 128.95 15.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 CA-C-N 109.124 -3.671 . . . . 16.66 105.982 177.524 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.503 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -94.02 123.64 7.55 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.313 -0.946 . . . . 16.66 114.134 -177.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.473 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.6 OUTLIER -48.42 108.89 0.19 Allowed 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.283 -1.377 . . . . 16.66 107.283 176.235 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.537 ' HA ' HH12 ' B' ' 2' ' ' ARG . 90.9 m-20 -63.48 -36.43 83.74 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-O 122.18 0.991 . . . . 25.0 108.458 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.523 ' CZ ' ' O ' ' A' ' 60' ' ' GLU . 28.8 ttt85 -94.34 -37.82 11.29 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 113.594 -1.639 . . . . 50.0 111.014 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.327 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -84.04 -28.33 27.71 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.882 -0.727 . . . . 16.66 110.988 -178.87 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.787 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 79.04 21.48 0.67 Allowed 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.79 1.033 . . . . 16.66 113.79 178.163 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.619 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 26.9 p30 -135.01 170.03 16.53 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 119.23 0.923 . . . . 50.0 112.419 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.828 ' CB ' HM22 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -116.15 147.6 41.21 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 116.145 1.906 . . . . 16.66 116.145 -175.154 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.681 ' CD1' HG21 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -139.05 162.14 35.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.017 -0.992 . . . . 50.0 109.653 173.796 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.66 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -70.89 139.0 50.63 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 106.143 -1.799 . . . . 16.66 106.143 176.715 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -42.2 -47.76 5.48 Favored Glycine 0 C--N 1.306 -1.099 0 C-N-CA 119.627 -1.273 . . . . 16.66 111.627 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' H ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -79.12 -18.01 54.02 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.123 -0.631 . . . . 50.0 109.727 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.958 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 5.6 t -50.43 -30.67 13.09 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.38 -0.928 . . . . 16.66 108.668 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.7 m -116.66 15.02 7.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 114.92 -1.037 . . . . 16.66 110.881 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.22 45.82 59.97 Favored Glycine 0 N--CA 1.461 0.304 0 CA-C-N 115.795 -0.639 . . . . 16.66 111.965 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.502 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -112.32 167.69 5.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.084 0.468 . . . . 16.66 110.967 -179.403 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.493 ' N ' HG21 ' A' ' 40' ' ' ILE . 35.1 mt -62.57 165.81 5.94 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.622 -0.717 . . . . 50.0 110.49 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.412 ' CA ' HE21 ' A' ' 42' ' ' GLN . 0.5 OUTLIER -79.63 -55.23 5.17 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.468 -0.787 . . . . 25.0 110.358 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.593 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 75.7 m -67.33 -16.29 64.17 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.292 -0.867 . . . . 50.0 109.094 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.791 ' HA ' HD12 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -42.46 -20.89 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 115.497 -0.774 . . . . 50.0 110.409 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.904 ' O ' HG21 ' B' ' 3' ' ' THR . . . -70.5 -46.52 63.54 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.923 -0.58 . . . . 25.0 110.871 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' A' ' 47' ' ' LEU . 13.0 pm0 -89.85 -42.61 11.14 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.604 1.335 . . . . 50.0 114.604 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 1.069 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -56.4 -27.08 55.31 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.445 0.906 . . . . 16.66 113.445 -176.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 1.069 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.1 pp -85.47 172.27 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.71 0.767 . . . . 25.0 110.418 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.499 ' C ' ' HB3' ' B' ' 1' ' ' ALA . 54.7 t0 -160.97 17.73 0.12 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.326 -1.307 . . . . 50.0 108.969 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -162.28 35.29 0.12 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 114.034 -1.439 . . . . 50.0 107.236 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.637 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 17.2 t80 -66.22 145.71 55.45 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 115.061 -0.972 . . . . 16.66 111.201 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.637 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 16.1 t -135.6 157.57 39.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 CA-C-N 113.717 -1.583 . . . . 50.0 108.565 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.473 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.8 p -79.87 158.88 72.29 Favored Pre-proline 0 N--CA 1.411 -2.391 0 CA-C-O 121.321 0.582 . . . . 16.66 109.57 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 18.9 Cg_endo -81.66 -25.33 3.72 Favored 'Trans proline' 0 C--N 1.275 -3.313 0 C-N-CA 121.95 1.767 . . . . 16.66 110.759 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.703 ' NE2' HG23 ' A' ' 12' ' ' ILE . 98.5 mt-30 -70.81 -35.7 72.63 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.201 -1.037 . . . . 50.0 108.201 177.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -69.05 -39.93 78.85 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.999 -1.0 . . . . 16.66 109.691 179.099 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -56.27 -21.0 21.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.121 -0.491 . . . . 50.0 110.406 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.9 t -51.92 -27.57 13.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.168 -0.469 . . . . 50.0 110.257 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -130.08 -19.25 3.23 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 111.996 0.369 . . . . 50.0 111.996 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.523 ' O ' ' CZ ' ' A' ' 28' ' ' ARG . 98.1 mt-10 42.16 -164.61 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.509 -0.476 . . . . 50.0 110.323 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -53.28 -36.84 61.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.393 -0.367 . . . . 50.0 110.131 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.012 -0.994 . . . . 50.0 110.396 179.845 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.499 ' HB3' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.658 HH22 ' N ' ' A' ' 26' ' ' CYS . 13.8 ttp-105 -88.67 33.51 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.742 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.904 HG21 ' O ' ' A' ' 45' ' ' ALA . 20.3 m -58.38 137.49 57.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.009 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' M3L . . . . . 0.88 ' HB3' ' HB2' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.547 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 12.4 pt20 -111.13 160.14 17.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.302 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.5 p -126.83 168.37 14.55 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.865 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.25 149.5 5.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -89.82 92.23 8.95 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -63.73 -31.63 72.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.99 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' B' ' 11' ' ' THR . 87.8 p -57.83 -31.62 66.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.215 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' B' ' 10' ' ' SER . 1.1 m 83.27 164.29 0.12 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.415 ' H ' HG22 ' B' ' 11' ' ' THR . . . -57.78 -28.58 60.5 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' B' ' 12' ' ' GLY . . . -37.94 142.5 0.3 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -133.57 163.01 30.36 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.834 0.349 . . . . 0.0 110.544 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.551 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.678 179.871 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.459 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.439 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.85 -10.23 16.64 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.939 2.426 . . . . 0.0 111.92 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.7 mt -76.89 146.52 37.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.818 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.19 68.91 0.65 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.081 -0.807 . . . . 50.0 111.081 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.411 ' HG ' ' HG1' ' A' ' 7' ' ' THR . 32.7 t -114.71 135.96 53.59 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.758 0.313 . . . . 50.0 110.54 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.453 ' OD2' ' C ' ' A' ' 6' ' ' ASP . 48.2 p30 -102.07 15.27 29.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.213 -0.449 . . . . 50.0 110.919 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.411 ' HG1' ' HG ' ' A' ' 5' ' ' SER . 70.2 p -112.93 169.88 8.6 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.241 0.543 . . . . 50.0 111.171 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -70.28 -174.16 0.79 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.367 -0.833 . . . . 50.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 1.037 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -60.25 175.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.515 -0.766 . . . . 50.0 111.137 -179.044 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.503 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 16.5 m-85 -67.93 -108.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.534 -0.757 . . . . 25.0 112.454 -178.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 1.132 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -35.63 131.28 0.51 Allowed 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 122.49 1.138 . . . . 16.66 112.391 -177.742 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.725 HG21 ' CD1' ' A' ' 33' ' ' TYR . 14.2 pt -47.78 -7.41 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 112.703 -2.044 . . . . 50.0 109.827 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.968 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.5 OUTLIER -90.14 12.38 18.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.861 -1.063 . . . . 16.66 109.785 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 11' ' ' CYS . 15.7 pttp 45.73 78.79 0.06 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.369 -0.832 . . . . 25.0 113.22 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.527 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 2.9 p -149.33 144.97 18.49 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-N 116.501 -0.318 . . . . 50.0 110.948 178.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -70.66 170.41 17.72 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 123.013 2.475 . . . . 50.0 112.274 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.659 ' CZ ' ' CM1' ' B' ' 4' ' ' M3L . 0.8 OUTLIER -67.07 134.69 52.36 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.425 0.631 . . . . 50.0 110.565 -179.544 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.777 ' C ' ' H ' ' A' ' 20' ' ' SER . 62.1 m-20 -140.21 113.99 8.81 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.018 -0.992 . . . . 50.0 108.887 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HA ' ' HG1' ' B' ' 6' ' ' THR . 96.7 mt-10 -57.03 7.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.248 0.547 . . . . 50.0 109.999 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.777 ' H ' ' C ' ' A' ' 18' ' ' ASP . 25.2 m -107.05 1.02 24.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.079 -1.082 . . . . 50.0 108.079 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.897 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 1.6 tptm -125.74 132.09 52.41 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.009 -1.451 . . . . 50.0 108.118 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 41.9 p90 -105.83 146.91 29.28 Favored 'General case' 0 CA--C 1.496 -1.102 0 C-N-CA 120.008 -0.677 . . . . 16.66 110.18 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.882 ' CD2' HM23 ' B' ' 4' ' ' M3L . 51.9 m-85 -123.91 173.87 7.93 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 124.045 1.879 . . . . 50.0 115.972 -175.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.999 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -143.44 130.56 17.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 CA-C-N 109.833 -3.349 . . . . 16.66 106.389 176.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -91.54 124.31 7.56 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 120.316 -0.945 . . . . 16.66 113.92 -177.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.457 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.4 t -48.98 110.35 0.35 Allowed 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.078 -1.082 . . . . 16.66 108.078 176.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.629 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 58.0 t0 -62.65 -35.7 80.48 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.308 0.575 . . . . 25.0 110.02 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.67 -25.15 13.66 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.109 -0.95 . . . . 50.0 110.299 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.331 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -91.17 -28.25 17.98 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 119.891 -0.724 . . . . 16.66 110.036 179.148 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.778 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 76.79 21.41 1.22 Allowed 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.303 0.853 . . . . 16.66 113.303 178.718 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.579 ' H ' ' CB ' ' A' ' 26' ' ' CYS . 26.0 p30 -135.03 172.07 13.53 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 118.972 0.805 . . . . 50.0 112.811 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.748 ' CG ' HM22 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -114.76 149.7 36.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 117.327 2.343 . . . . 16.66 117.327 -173.728 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.73 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -139.93 154.13 47.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.139 -1.391 . . . . 50.0 109.8 172.36 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.897 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -67.53 141.59 56.83 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 105.303 -2.11 . . . . 16.66 105.303 176.155 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.545 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -42.37 -56.41 4.1 Favored Glycine 0 C--N 1.31 -0.899 0 C-N-CA 119.482 -1.342 . . . . 16.66 111.9 -177.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.475 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -73.88 -18.14 60.96 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.155 -0.618 . . . . 50.0 110.038 179.528 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 1.132 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.8 t -50.51 -29.19 9.96 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.387 -0.968 . . . . 16.66 108.387 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 m -119.09 9.41 6.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.12 -0.945 . . . . 16.66 110.73 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 74.9 45.9 19.22 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 121.209 -0.519 . . . . 16.66 112.194 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.545 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -112.75 167.89 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.844 0.354 . . . . 16.66 110.825 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 41' ' ' LEU . 3.4 mm? -60.5 164.77 4.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.364 0.602 . . . . 50.0 110.346 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.1 -55.59 5.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.493 -0.776 . . . . 25.0 110.359 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.59 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 58.1 m -70.03 -15.24 62.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.376 -0.829 . . . . 50.0 109.327 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.756 ' HA ' HD12 ' A' ' 47' ' ' LEU . 1.1 tm-20 -41.8 -20.93 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.352 -0.84 . . . . 50.0 110.953 -178.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.741 ' O ' HG21 ' B' ' 3' ' ' THR . . . -71.53 -47.13 57.15 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 120.639 -0.424 . . . . 25.0 110.82 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -88.24 -43.92 11.23 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.48 1.289 . . . . 50.0 114.48 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 1.04 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -55.5 -25.34 36.64 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.885 0.698 . . . . 16.66 112.885 -177.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 1.04 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.0 pp -85.62 172.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.683 0.754 . . . . 25.0 110.328 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.473 ' C ' ' HB3' ' B' ' 1' ' ' ALA . 18.8 t70 -161.47 20.21 0.12 Allowed 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.319 -1.31 . . . . 50.0 109.086 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' B' ' 1' ' ' ALA . 1.6 pp20? -166.16 35.04 0.05 OUTLIER 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 106.821 -1.548 . . . . 50.0 106.821 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.665 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 20.8 t80 -66.4 146.63 54.35 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 114.937 -1.028 . . . . 16.66 111.374 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.665 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 14.5 t -137.31 159.79 35.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 113.554 -1.657 . . . . 50.0 108.875 177.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.457 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.4 p -80.66 158.05 71.42 Favored Pre-proline 0 N--CA 1.416 -2.147 0 CA-C-O 121.355 0.598 . . . . 16.66 109.712 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 19.1 Cg_endo -82.18 -23.79 4.2 Favored 'Trans proline' 0 C--N 1.276 -3.274 0 C-N-CA 121.877 1.718 . . . . 16.66 110.905 -179.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -74.75 -37.48 62.47 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.878 -0.786 . . . . 50.0 108.878 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 1.142 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -82.27 -23.07 35.46 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.72 -0.673 . . . . 16.66 110.109 179.496 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -54.82 -39.23 68.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.376 . . . . 50.0 110.721 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.469 ' O ' ' OD2' ' A' ' 61' ' ' ASP . 22.9 t -59.73 -36.84 77.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.978 0.418 . . . . 50.0 110.293 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.1 m -64.25 -32.4 73.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 50.0 111.195 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.82 -33.48 68.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 50.0 111.578 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.47 ' C ' ' OD2' ' A' ' 61' ' ' ASP . 46.5 p30 -71.93 168.73 17.36 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.51 -0.476 . . . . 50.0 110.654 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.001 -0.999 . . . . 50.0 110.561 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.473 ' HB3' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.629 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 13.5 ptt-85 -95.65 62.35 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.216 0.531 . . . . 0.0 110.784 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.808 ' HG1' ' CD1' ' A' ' 48' ' ' ILE . 31.4 m -71.02 142.1 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' M3L . . . . . 0.882 HM23 ' CD2' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.322 -0.617 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.227 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' B' ' 3' ' ' THR . 25.5 mp0 -98.12 163.31 12.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.712 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.403 ' HG1' ' HA ' ' A' ' 19' ' ' GLU . 15.1 t -129.47 151.47 50.07 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.813 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.83 156.4 37.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.287 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' B' ' 10' ' ' SER . 41.3 ttp180 -143.03 16.72 1.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.88 0.371 . . . . 0.0 110.537 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' B' ' 8' ' ' ARG . 10.2 ptpp? 37.81 31.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.424 ' N ' ' O ' ' B' ' 8' ' ' ARG . 13.1 t -145.81 -50.21 0.23 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.429 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.427 HG23 ' N ' ' B' ' 12' ' ' GLY . 10.0 t -65.31 -38.17 89.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.635 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.427 ' N ' HG23 ' B' ' 11' ' ' THR . . . -84.18 -178.06 51.49 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.61 15.27 68.65 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 tttm 63.56 49.3 3.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.007 0.432 . . . . 0.0 110.176 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.599 -179.942 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.452 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.436 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.454 ' H1 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.492 2.388 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.454 ' HD3' ' H1 ' ' A' ' 1' ' ' GLY . 44.9 Cg_exo -53.51 139.61 65.61 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.788 2.325 . . . . 0.0 112.017 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.4 mt -104.33 141.59 36.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.402 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.04 106.49 0.19 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.205 -0.758 . . . . 50.0 111.205 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -81.18 -6.4 58.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 50.0 110.598 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -56.05 -37.86 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 50.0 110.709 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.7 p -87.09 161.76 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.39 . . . . 50.0 110.79 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.33 102.05 8.03 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.002 -0.545 . . . . 50.0 110.54 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.508 HD13 ' H ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -144.86 -174.68 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.536 -0.866 . . . . 50.0 112.041 179.092 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.539 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 16.6 m-85 -89.72 -110.6 0.08 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.873 -1.058 . . . . 25.0 110.789 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 1.117 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -37.09 132.68 0.7 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 122.427 1.108 . . . . 16.66 111.868 -178.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.715 HG21 ' CD1' ' A' ' 33' ' ' TYR . 21.0 pt -46.15 -6.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-N 112.721 -2.036 . . . . 50.0 110.202 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.98 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -85.26 -28.39 25.37 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.271 -0.877 . . . . 16.66 110.724 179.459 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.596 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 93.2 mttt 84.28 78.42 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.192 0.442 . . . . 25.0 112.192 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.715 ' HG1' ' HD2' ' A' ' 16' ' ' PRO . 0.5 OUTLIER -152.45 147.09 18.97 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 120.966 -0.294 . . . . 50.0 111.184 178.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.715 ' HD2' ' HG1' ' A' ' 15' ' ' THR . 18.8 Cg_endo -60.13 153.66 57.03 Favored 'Trans proline' 0 N--CA 1.504 2.135 0 C-N-CA 123.594 2.862 . . . . 50.0 112.509 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.742 ' CD1' HM21 ' B' ' 4' ' ' M3L . 1.8 t80 -67.69 124.06 22.22 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.04 0.448 . . . . 50.0 109.974 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.617 ' C ' ' H ' ' A' ' 20' ' ' SER . 63.5 t0 -133.86 133.36 41.44 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.59 -0.732 . . . . 50.0 110.232 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.18 1.53 0.46 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.669 -0.696 . . . . 50.0 109.179 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.617 ' H ' ' C ' ' A' ' 18' ' ' ASP . 73.2 m -96.81 -7.62 33.18 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 107.791 -1.189 . . . . 50.0 107.791 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.873 ' HZ1' HH11 ' A' ' 36' ' ' ARG . 5.4 tptp -123.55 131.41 53.62 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 113.451 -1.704 . . . . 50.0 107.224 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 44.6 p90 -109.6 138.99 45.16 Favored 'General case' 0 CA--C 1.495 -1.136 0 C-N-CA 119.818 -0.753 . . . . 16.66 110.478 -179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.924 ' CG ' HM22 ' B' ' 4' ' ' M3L . 12.1 m-85 -116.27 173.97 6.3 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-O 123.901 1.81 . . . . 50.0 115.294 -176.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 1.013 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -145.59 133.17 15.73 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 CA-C-N 110.074 -3.239 . . . . 16.66 107.203 178.125 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -92.76 127.31 8.93 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 120.568 -0.825 . . . . 16.66 113.929 -178.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.316 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 7.9 t -58.4 114.31 2.38 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.67 0.788 . . . . 16.66 108.927 177.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.577 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 59.3 t0 -50.86 -34.4 27.91 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.335 -0.546 . . . . 25.0 110.83 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.712 ' CZ ' ' HG1' ' A' ' 59' ' ' THR . 0.5 OUTLIER -106.5 -35.26 7.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.493 -0.321 . . . . 50.0 110.765 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.316 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -83.43 -0.12 48.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.105 0.478 . . . . 16.66 110.39 -178.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 4.2 pt20 33.21 33.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.964 -1.016 . . . . 16.66 112.948 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.492 ' OD1' ' OH ' ' A' ' 33' ' ' TYR . 20.6 p30 -133.34 169.83 16.35 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 120.279 -0.568 . . . . 50.0 110.899 178.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.701 ' CD1' ' CM3' ' B' ' 4' ' ' M3L . 0.0 OUTLIER -121.93 149.11 43.9 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 116.172 1.915 . . . . 16.66 116.172 -174.448 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.747 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -135.62 158.22 44.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.713 -1.13 . . . . 50.0 110.014 173.828 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.881 ' ND1' ' SG ' ' A' ' 37' ' ' CYS . 1.4 m80 -70.31 138.95 51.94 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 105.577 -2.009 . . . . 16.66 105.577 176.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.5 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -45.5 -42.39 9.89 Favored Glycine 0 C--N 1.303 -1.263 0 C-N-CA 119.126 -1.511 . . . . 16.66 111.157 -178.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.873 HH11 ' HZ1' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -80.52 -20.61 43.16 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.299 -0.561 . . . . 50.0 109.568 179.069 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 1.117 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.5 OUTLIER -53.61 -25.71 18.76 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.744 -0.835 . . . . 16.66 108.744 179.613 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.3 m -125.57 9.42 4.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.225 -0.898 . . . . 16.66 111.132 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.21 45.98 37.07 Favored Glycine 0 N--CA 1.462 0.419 0 CA-C-N 115.998 -0.546 . . . . 16.66 112.497 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.52 HG12 ' OE1' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -108.15 166.91 4.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 110.238 -0.282 . . . . 16.66 110.238 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.756 ' N ' ' OE1' ' A' ' 44' ' ' GLU . 9.3 mp -60.37 164.43 4.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.219 0.533 . . . . 50.0 109.867 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.47 -56.18 4.64 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.442 -0.799 . . . . 25.0 111.166 -178.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.593 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 73.5 m -71.43 -15.41 62.34 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.708 . . . . 50.0 109.277 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.819 ' HA ' HD12 ' A' ' 47' ' ' LEU . 2.5 tt0 -42.97 -19.4 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 115.467 -0.788 . . . . 50.0 111.105 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.765 ' O ' HG21 ' B' ' 3' ' ' THR . . . -68.6 -50.1 54.19 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.529 -0.468 . . . . 25.0 110.959 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -87.8 -44.43 11.12 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.417 1.265 . . . . 50.0 114.417 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 1.08 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -55.04 -23.97 22.57 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.528 0.566 . . . . 16.66 112.528 -177.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 1.08 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.3 pp -85.8 171.82 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.504 0.668 . . . . 25.0 110.102 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -161.1 8.54 0.08 Allowed 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.67 -1.15 . . . . 50.0 109.456 -178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -149.69 36.15 0.71 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 106.564 -1.643 . . . . 50.0 106.564 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.648 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 55.9 t80 -66.97 145.57 55.28 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.536 -1.211 . . . . 16.66 112.495 -177.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.648 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 9.2 t -138.51 157.72 30.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 113.137 -1.847 . . . . 50.0 108.643 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.233 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 1.4 p -75.61 160.52 79.08 Favored Pre-proline 0 N--CA 1.413 -2.303 0 N-CA-C 108.356 -0.979 . . . . 16.66 108.356 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.459 ' HA ' HE21 ' A' ' 57' ' ' GLN . 26.4 Cg_endo -81.17 -25.19 4.12 Favored 'Trans proline' 0 C--N 1.275 -3.321 0 C-N-CA 121.735 1.623 . . . . 16.66 111.577 -178.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -78.84 -29.11 44.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.249 -1.019 . . . . 50.0 108.249 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 1.044 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 38.4 m -62.43 -37.12 84.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.351 -1.295 . . . . 16.66 110.314 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.459 HE21 ' HA ' ' A' ' 54' ' ' PRO . 61.1 mt-30 -60.1 -28.74 68.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.681 -0.691 . . . . 50.0 111.583 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.0 t -56.48 -37.36 70.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.301 -0.409 . . . . 50.0 111.825 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.712 ' HG1' ' CZ ' ' A' ' 28' ' ' ARG . 1.1 p -107.29 -47.31 3.69 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.096 0.406 . . . . 50.0 112.096 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 59' ' ' THR . 66.1 mm-40 58.09 132.9 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.026 0.441 . . . . 50.0 110.821 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 54.91 45.62 26.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.051 -0.522 . . . . 50.0 110.685 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.003 -0.999 . . . . 50.0 110.555 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.577 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 4.4 ptt85 -92.95 71.53 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.22 0.533 . . . . 0.0 110.071 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.765 HG21 ' O ' ' A' ' 45' ' ' ALA . 17.3 m -69.77 140.64 53.41 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' M3L . . . . . 0.924 HM22 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.323 -0.58 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' B' ' 3' ' ' THR . 0.7 OUTLIER -134.11 169.42 17.18 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.961 0.41 . . . . 0.0 111.388 -178.785 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.467 ' O ' ' O ' ' B' ' 7' ' ' ALA . 6.1 t -78.67 14.2 1.39 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.384 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' B' ' 6' ' ' THR . . . 57.4 134.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.203 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -133.15 72.65 1.49 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.399 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -58.36 -29.5 66.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.698 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 87.4 p -53.68 -28.41 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.758 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 40.3 m -78.56 135.36 37.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.476 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.77 -172.66 42.48 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.22 -174.74 30.4 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 50.1 tttp 62.59 56.23 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.343 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.564 -179.889 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.493 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.454 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.89 -20.37 59.4 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.778 2.319 . . . . 0.0 111.928 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.8 tp -55.81 -38.73 70.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' O ' ' OG ' ' A' ' 5' ' ' SER . . . 169.97 -179.85 42.03 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.884 -0.886 . . . . 50.0 110.884 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 4' ' ' GLY . 2.9 m 174.87 92.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.746 0.308 . . . . 50.0 110.477 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' C ' ' OD2' ' A' ' 6' ' ' ASP . 52.7 p30 -88.7 7.08 35.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 50.0 110.59 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.8 p -83.98 162.89 20.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 50.0 110.678 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.504 ' CE ' ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -91.72 -176.21 4.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 50.0 110.387 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.504 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 45.5 mt -61.84 167.33 3.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.453 0.644 . . . . 50.0 111.782 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.488 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 10.4 m-85 -86.34 -110.11 0.05 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.502 -0.772 . . . . 25.0 110.952 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 1.083 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -37.93 132.45 0.96 Allowed 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 122.318 1.056 . . . . 16.66 111.747 -178.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.76 HG21 ' CD1' ' A' ' 33' ' ' TYR . 19.6 pt -47.79 -6.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 CA-C-N 113.05 -1.886 . . . . 50.0 110.205 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.015 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -81.26 -27.45 35.16 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.169 -0.923 . . . . 16.66 110.652 179.444 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 22.9 mtmm 85.95 78.78 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.662 ' HG1' ' HE2' ' A' ' 34' ' ' HIS . 19.5 p -156.03 148.62 17.89 Favored Pre-proline 0 N--CA 1.468 0.433 0 CA-C-O 120.629 0.252 . . . . 50.0 110.96 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.07 166.4 25.01 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 123.114 2.542 . . . . 50.0 112.166 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.775 ' CE1' HM12 ' B' ' 4' ' ' M3L . 0.9 OUTLIER -65.14 135.75 55.86 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.397 0.618 . . . . 50.0 110.496 -179.353 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.776 ' C ' ' H ' ' A' ' 20' ' ' SER . 83.8 m-20 -139.4 114.51 9.58 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 114.825 -1.079 . . . . 50.0 108.761 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -55.99 4.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.206 0.526 . . . . 50.0 109.637 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.776 ' H ' ' C ' ' A' ' 18' ' ' ASP . 15.1 m -102.38 -6.19 23.29 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.633 -0.877 . . . . 50.0 108.633 178.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.726 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 2.4 tptm -120.08 134.12 55.34 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 114.71 -1.132 . . . . 50.0 108.277 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.714 ' CZ ' ' NE2' ' A' ' 42' ' ' GLN . 51.3 p90 -109.47 141.25 42.18 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.751 -0.658 . . . . 16.66 109.671 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.858 ' CG ' HM23 ' B' ' 4' ' ' M3L . 7.0 m-85 -119.01 175.66 5.66 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 123.939 1.828 . . . . 50.0 114.851 -176.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 1.029 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -142.9 122.57 9.27 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 CA-C-N 110.153 -3.203 . . . . 16.66 108.012 178.227 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -93.22 120.5 6.24 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 110.727 -0.949 . . . . 16.66 110.727 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.373 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -82.25 113.99 20.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.802 0.811 . . . . 16.66 110.0 -179.365 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.477 ' HB2' HH11 ' A' ' 28' ' ' ARG . 93.2 m-20 -39.21 -39.4 0.61 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.179 -1.373 . . . . 25.0 114.005 -176.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.638 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -102.59 -9.51 20.07 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.285 -0.566 . . . . 50.0 110.689 -179.069 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.44 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -100.6 -3.48 30.4 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.802 -0.814 . . . . 16.66 108.802 179.714 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.601 ' C ' HH22 ' B' ' 2' ' ' ARG . 0.1 OUTLIER 37.31 16.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.251 -1.341 . . . . 16.66 113.653 177.331 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.822 ' N ' HH22 ' B' ' 2' ' ' ARG . 0.0 OUTLIER -134.17 168.88 18.05 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 119.175 -1.01 . . . . 50.0 112.283 -179.854 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.829 ' CB ' HM22 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -115.29 143.74 44.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 114.731 1.382 . . . . 16.66 114.731 -175.126 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.796 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -130.47 148.91 52.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.895 -0.593 . . . . 50.0 111.011 175.504 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.9 ' ND1' ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -62.79 141.44 58.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 104.869 -2.271 . . . . 16.66 104.869 175.496 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.518 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -42.01 -59.47 2.91 Favored Glycine 0 C--N 1.31 -0.894 0 C-N-CA 119.491 -1.337 . . . . 16.66 111.862 -177.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -69.34 -19.97 63.86 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.498 -0.481 . . . . 50.0 110.56 179.797 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 1.083 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.2 t -50.72 -30.87 14.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 119.555 -0.858 . . . . 16.66 108.927 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.6 m -116.87 10.89 7.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.298 -0.864 . . . . 16.66 110.753 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 74.13 45.53 25.26 Favored Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.8 -0.637 . . . . 16.66 112.176 178.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.518 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -114.59 167.12 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.139 0.495 . . . . 16.66 111.037 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.547 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 76.4 mt -65.08 165.87 10.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.435 -0.802 . . . . 50.0 111.36 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.817 HE21 ' C ' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -79.09 -56.49 4.33 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.91 -1.041 . . . . 25.0 109.944 -179.712 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.681 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 41.6 m -59.11 -27.89 66.01 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.168 -0.924 . . . . 50.0 109.026 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.868 ' HA ' HD12 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -42.1 -19.15 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 114.698 -1.137 . . . . 50.0 111.315 -177.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.936 ' O ' HG21 ' B' ' 3' ' ' THR . . . -69.06 -54.06 17.06 Favored 'General case' 0 C--N 1.31 -1.119 0 C-N-CA 120.227 -0.589 . . . . 25.0 110.337 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.559 ' HA ' HE22 ' B' ' 5' ' ' GLN . 85.1 tt0 -88.4 -43.4 11.52 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 115.017 1.488 . . . . 50.0 115.017 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 1.11 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.5 pp -55.57 -26.14 41.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.331 0.863 . . . . 16.66 113.331 -176.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 1.11 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.4 pp -85.48 171.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.775 0.797 . . . . 25.0 110.109 -179.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' B' ' 1' ' ' ALA . 51.1 t0 -160.81 10.46 0.09 Allowed 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 114.346 -1.297 . . . . 50.0 108.923 -178.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.434 ' H ' ' H ' ' A' ' 49' ' ' ASP . 1.4 tm-20 -151.42 35.27 0.57 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 113.974 -1.466 . . . . 50.0 107.263 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.704 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 21.8 t80 -66.79 148.47 51.89 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.181 -0.918 . . . . 16.66 111.298 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.704 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 13.1 t -137.96 159.49 33.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.083 -1.417 . . . . 50.0 110.561 178.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.44 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -72.57 163.16 69.95 Favored Pre-proline 0 CA--C 1.481 -1.678 0 N-CA-C 108.458 -0.942 . . . . 16.66 108.458 -179.487 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -82.33 -23.98 3.98 Favored 'Trans proline' 0 C--N 1.262 -3.996 0 C-N-CA 121.348 1.366 . . . . 16.66 109.313 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.484 ' O ' ' OG1' ' A' ' 59' ' ' THR . 99.6 mm-40 -88.86 -57.99 2.71 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.763 -1.108 . . . . 50.0 110.751 177.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 1.301 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 27.5 p -68.22 -17.14 64.24 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.12 0.785 . . . . 16.66 113.12 -178.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.604 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 48.1 tt0 -54.26 -42.41 69.92 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.039 -0.664 . . . . 50.0 110.642 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -110.6 -45.0 3.57 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.518 -0.31 . . . . 50.0 111.16 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 55' ' ' GLN . 34.5 p -70.31 -18.16 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.44 -0.345 . . . . 50.0 110.867 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 43.25 -150.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.422 -0.353 . . . . 50.0 110.402 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -54.7 -37.15 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.424 -0.353 . . . . 50.0 110.473 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.03 -0.986 . . . . 50.0 110.647 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.544 ' N ' ' OD1' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.822 HH22 ' N ' ' A' ' 31' ' ' ASN . 31.8 ptt85 -86.04 43.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.149 0.5 . . . . 0.0 110.36 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.936 HG21 ' O ' ' A' ' 45' ' ' ALA . 18.5 m -54.37 138.98 38.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.142 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' M3L . . . . . 0.858 HM23 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.559 HE22 ' HA ' ' A' ' 46' ' ' GLU . 10.2 pt20 -110.3 166.38 11.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.278 0.561 . . . . 0.0 111.837 -177.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 42.3 p -121.61 157.27 31.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.212 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.54 141.59 50.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.872 0.368 . . . . 0.0 110.779 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -133.83 161.0 35.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.714 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -64.78 174.48 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.771 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 72.7 m 60.41 65.8 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.763 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 7.4 t -135.09 157.6 46.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.432 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.48 -75.87 0.18 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.527 ' H ' ' HZ1' ' B' ' 14' ' ' LYS . . . 77.07 47.28 9.41 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.557 ' H ' ' HD2' ' B' ' 14' ' ' LYS . 1.0 OUTLIER -56.69 -35.46 68.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 110.313 -179.663 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.509 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.51 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.412 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -53.38 144.83 48.29 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.663 2.242 . . . . 0.0 111.986 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.1 tp -57.92 -36.76 72.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.422 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 5' ' ' SER . . . 95.61 3.31 61.13 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.98 -0.848 . . . . 50.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 4' ' ' GLY . 26.4 m 38.59 96.5 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.814 0.34 . . . . 50.0 111.028 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 7' ' ' THR . 49.2 t0 -156.96 165.96 34.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 50.0 110.402 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.482 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 21.5 p -81.7 163.22 22.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 50.0 110.279 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -89.4 177.99 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.109 0.48 . . . . 50.0 110.706 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mt -121.66 166.61 14.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.491 -0.777 . . . . 50.0 110.712 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 43.2 m-85 -116.3 -99.58 0.44 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.348 0.594 . . . . 25.0 111.92 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 1.098 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -37.26 137.92 0.34 Allowed 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 122.53 1.157 . . . . 16.66 112.526 -178.193 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.768 HG21 ' CD1' ' A' ' 33' ' ' TYR . 18.3 pt -46.91 -6.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 CA-C-N 112.79 -2.005 . . . . 50.0 110.506 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.949 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -83.89 -31.19 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.402 -0.817 . . . . 16.66 110.641 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.707 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 10.0 pttt 89.33 80.26 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.632 0.729 . . . . 25.0 111.531 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.507 HG22 ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -155.35 140.21 12.04 Favored Pre-proline 0 CA--C 1.539 0.53 0 O-C-N 121.903 -0.498 . . . . 50.0 111.195 -179.489 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.507 ' HD2' HG22 ' A' ' 15' ' ' THR . 21.1 Cg_endo -62.51 168.29 10.07 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 122.408 2.072 . . . . 50.0 111.488 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.705 ' HE1' ' HE1' ' A' ' 23' ' ' TYR . 1.5 t80 -73.83 133.26 43.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.58 0.705 . . . . 50.0 111.955 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.553 ' H ' ' HD1' ' A' ' 17' ' ' TYR . 48.8 t0 -140.39 144.21 36.09 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.418 -1.265 . . . . 50.0 108.681 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.75 9.28 1.52 Allowed 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.394 -0.523 . . . . 50.0 109.708 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.53 ' H ' ' C ' ' A' ' 18' ' ' ASP . 54.7 p -96.21 -1.09 48.94 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.962 -0.755 . . . . 50.0 108.962 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.707 ' HG3' ' OH ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -130.51 139.69 50.5 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 114.744 -1.116 . . . . 50.0 108.968 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 45' ' ' ALA . 49.0 p90 -115.4 135.95 53.59 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 107.415 -1.328 . . . . 16.66 107.415 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.707 ' OH ' ' HG3' ' A' ' 21' ' ' LYS . 6.1 m-85 -111.4 174.04 6.06 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-O 124.173 1.94 . . . . 50.0 115.699 -175.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 1.062 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -143.11 125.21 12.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 CA-C-N 109.446 -3.524 . . . . 16.66 108.429 178.673 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.533 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -91.36 117.67 5.24 Favored Glycine 0 CA--C 1.533 1.182 0 N-CA-C 111.522 -0.631 . . . . 16.66 111.522 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.349 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 1.7 t -70.04 124.37 23.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.298 0.57 . . . . 16.66 109.975 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -44.66 -47.92 10.54 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.715 1.006 . . . . 25.0 113.715 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.446 ' HB3' HH11 ' A' ' 28' ' ' ARG . 0.0 OUTLIER -99.57 -31.7 11.47 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.396 -0.522 . . . . 50.0 111.094 -178.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.375 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -77.85 0.18 24.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.981 -1.118 . . . . 16.66 107.981 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.499 ' HA ' ' CZ ' ' B' ' 2' ' ' ARG . 5.1 pt20 30.67 23.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 112.85 -1.977 . . . . 16.66 115.593 177.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.675 ' H ' HD21 ' A' ' 31' ' ' ASN . 0.0 OUTLIER -135.17 170.29 16.14 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 119.457 1.026 . . . . 50.0 112.349 178.593 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.955 ' CD1' HM33 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -108.61 147.8 31.29 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 115.395 1.628 . . . . 16.66 115.395 -175.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.798 ' OH ' ' HB3' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -128.65 150.65 50.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.473 -0.785 . . . . 50.0 109.291 174.097 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.859 ' ND1' ' SG ' ' A' ' 37' ' ' CYS . 1.5 m80 -62.71 148.06 47.74 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 105.12 -2.178 . . . . 16.66 105.12 176.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' HA3' ' CZ ' ' A' ' 22' ' ' PHE . . . -48.38 -54.08 14.07 Favored Glycine 0 C--N 1.303 -1.263 0 C-N-CA 119.042 -1.551 . . . . 16.66 111.909 -178.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -18.18 58.96 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.427 -0.509 . . . . 50.0 110.45 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 1.098 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -50.18 -33.08 17.98 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 119.145 -1.022 . . . . 16.66 108.532 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 m -119.06 20.8 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.148 -0.933 . . . . 16.66 110.839 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.4 46.37 93.12 Favored Glycine 0 N--CA 1.465 0.576 0 CA-C-N 115.635 -0.712 . . . . 16.66 111.58 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.444 HG21 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -102.66 167.61 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.292 0.567 . . . . 16.66 112.156 -178.54 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.722 HD23 ' N ' ' A' ' 41' ' ' LEU . 2.1 mm? -62.95 165.53 6.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.163 -0.926 . . . . 50.0 110.866 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.14 -54.79 5.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.601 -0.727 . . . . 25.0 109.866 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 45' ' ' ALA . 4.9 t -69.34 -15.1 63.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.938 -1.028 . . . . 50.0 109.741 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.83 ' HA ' HD12 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -42.39 -19.07 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.702 -0.681 . . . . 50.0 110.641 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.843 ' O ' HG21 ' B' ' 3' ' ' THR . . . -83.01 -41.97 18.07 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.473 -0.491 . . . . 25.0 111.226 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.702 ' HE2' ' HA3' ' B' ' 13' ' ' GLY . 69.5 tt0 -87.67 -53.82 4.58 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.834 1.05 . . . . 50.0 113.834 -178.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.83 HD12 ' HA ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -71.56 15.06 0.15 Allowed 'General case' 0 CA--C 1.492 -1.263 0 CA-C-O 121.064 0.459 . . . . 16.66 110.745 -179.072 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.829 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.4 OUTLIER -116.59 149.76 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.541 0 CA-C-N 115.472 -0.786 . . . . 25.0 112.94 -176.773 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.786 ' H ' HD11 ' A' ' 48' ' ' ILE . 58.6 t0 -154.07 -18.63 0.13 Allowed 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.406 -1.27 . . . . 50.0 110.224 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.411 ' H ' ' H ' ' A' ' 49' ' ' ASP . 88.7 mt-10 -119.26 26.19 9.62 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.883 -0.599 . . . . 50.0 110.173 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.542 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 35.9 t80 -67.16 146.94 53.72 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 119.934 -0.706 . . . . 16.66 110.064 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.542 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 3.2 t -135.99 152.24 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 115.399 -0.818 . . . . 50.0 110.211 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.375 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -67.23 163.2 48.18 Favored Pre-proline 0 CA--C 1.479 -1.779 0 CA-C-N 115.497 -0.774 . . . . 16.66 109.492 -178.793 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -82.61 -16.35 7.98 Favored 'Trans proline' 0 C--N 1.266 -3.813 0 C-N-CA 121.659 1.573 . . . . 16.66 108.535 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -87.43 -56.41 3.37 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 114.148 -1.387 . . . . 50.0 110.524 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 1.323 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER -66.88 -19.72 65.78 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.027 -0.669 . . . . 16.66 111.108 -179.357 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 52.0 tt0 -61.47 -33.58 74.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.87 0.367 . . . . 50.0 110.622 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.3 m -53.79 -37.13 63.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.055 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.0 m -59.65 -39.39 84.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 50.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.95 142.23 56.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 50.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -120.78 159.68 24.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.198 -0.456 . . . . 50.0 110.371 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.925 -1.036 . . . . 50.0 110.62 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.62 ' NH1' ' CZ3' ' A' ' 32' ' ' TRP . 25.9 mtm105 39.53 26.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.498 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.843 HG21 ' O ' ' A' ' 45' ' ' ALA . 33.4 m -52.5 132.77 35.53 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.473 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' M3L . . . . . 0.955 HM33 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.151 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -75.3 156.17 35.87 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.717 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.632 ' O ' ' HB1' ' B' ' 7' ' ' ALA . 14.1 t -128.74 15.56 6.42 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.848 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.632 ' HB1' ' O ' ' B' ' 6' ' ' THR . . . 78.44 165.98 0.21 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 57.3 ttm-85 -130.32 143.1 50.57 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.651 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -63.73 -57.24 10.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.493 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 65.0 p -165.34 177.05 7.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 111.079 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 32.2 p 38.5 -151.76 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.076 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.95 -132.22 26.06 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.702 ' HA3' ' HE2' ' A' ' 46' ' ' GLU . . . -112.8 125.47 7.08 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -99.71 146.34 26.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.65 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.5 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.425 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.607 ' O ' ' C ' ' A' ' 3' ' ' LEU . 18.1 Cg_endo -59.12 153.88 49.39 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.834 2.356 . . . . 0.0 111.821 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.607 ' C ' ' O ' ' A' ' 2' ' ' PRO . 28.4 tp -3.13 -74.46 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.574 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 2' ' ' PRO . . . 144.97 124.47 1.72 Allowed Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.035 -0.826 . . . . 50.0 111.035 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.566 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 80.3 p -63.1 -29.65 70.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.667 0.27 . . . . 50.0 110.655 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.566 ' OD1' ' O ' ' A' ' 5' ' ' SER . 37.1 p30 30.51 46.82 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.029 -0.532 . . . . 50.0 111.31 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.5 p -83.83 159.27 21.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.19 0.519 . . . . 50.0 111.274 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.767 ' CE ' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -72.45 103.39 3.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.461 -0.79 . . . . 50.0 110.802 -179.674 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 4.7 mt -142.38 161.19 38.67 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 119.999 -0.68 . . . . 50.0 112.051 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.656 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 10.0 m-85 -75.47 -99.16 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.821 -1.081 . . . . 25.0 112.517 -178.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 22.5 t -35.5 136.16 0.23 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.97 0.89 . . . . 16.66 112.231 -178.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.76 HG21 ' CD2' ' A' ' 33' ' ' TYR . 22.2 pt -53.34 -7.13 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 113.805 -1.543 . . . . 50.0 107.669 177.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.993 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -87.53 -18.51 29.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.126 -1.852 . . . . 16.66 110.81 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 44.6 mtpt 77.76 79.13 0.07 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.445 -0.343 . . . . 25.0 111.923 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.875 ' HG1' ' HE2' ' A' ' 34' ' ' HIS . 24.8 p -148.3 150.7 35.27 Favored Pre-proline 0 N--CA 1.468 0.428 0 CA-C-O 120.699 0.285 . . . . 50.0 111.761 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.94 170.95 18.91 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 123.094 2.529 . . . . 50.0 111.896 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.656 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 1.0 OUTLIER -77.04 131.7 38.56 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 121.481 0.658 . . . . 50.0 110.731 -179.31 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.75 ' C ' ' H ' ' A' ' 20' ' ' SER . 78.6 m-20 -140.89 120.09 12.93 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 114.835 -1.075 . . . . 50.0 109.263 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.55 4.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.398 0.618 . . . . 50.0 109.373 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.75 ' H ' ' C ' ' A' ' 18' ' ' ASP . 62.0 m -98.21 -23.75 15.56 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 107.636 -1.246 . . . . 50.0 107.636 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.681 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -99.54 129.92 45.74 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 106.342 -1.725 . . . . 50.0 106.342 178.347 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 19.5 p90 -105.27 146.85 28.76 Favored 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 119.784 -0.767 . . . . 16.66 109.433 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.718 ' CG ' ' CM3' ' B' ' 4' ' ' M3L . 75.9 m-85 -124.27 171.95 9.47 Favored 'General case' 0 N--CA 1.433 -1.297 0 N-CA-C 116.762 2.134 . . . . 50.0 116.762 -174.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.953 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.15 129.22 9.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 109.168 -3.651 . . . . 16.66 106.333 177.034 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -95.46 124.25 7.93 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.587 -0.816 . . . . 16.66 113.972 -177.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.483 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.6 OUTLIER -48.94 113.36 0.77 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 107.782 -1.192 . . . . 16.66 107.782 176.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.514 ' CG ' ' O ' ' A' ' 51' ' ' TYR . 88.6 m-20 -62.97 -38.4 90.96 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 121.746 0.784 . . . . 25.0 109.083 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.538 ' HD3' ' HG1' ' A' ' 59' ' ' THR . 34.9 ttm-85 -97.18 -36.73 10.35 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.291 -1.322 . . . . 50.0 110.875 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.309 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -79.61 -28.24 40.98 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.032 -0.667 . . . . 16.66 110.516 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.779 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 73.56 23.55 2.42 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.343 0.868 . . . . 16.66 113.343 178.702 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.585 ' OD1' ' OH ' ' A' ' 33' ' ' TYR . 4.6 p30 -134.84 171.36 14.5 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 121.53 -0.731 . . . . 50.0 112.449 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.994 ' CD1' HM13 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -118.3 148.47 42.42 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 116.754 2.131 . . . . 16.66 116.754 -174.228 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.76 ' CD2' HG21 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -140.22 162.44 35.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.118 -1.401 . . . . 50.0 109.66 174.162 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.875 ' HE2' ' HG1' ' A' ' 15' ' ' THR . 0.2 OUTLIER -72.73 138.61 46.66 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 105.28 -2.119 . . . . 16.66 105.28 176.331 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.537 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -42.09 -45.2 4.97 Favored Glycine 0 C--N 1.307 -1.057 0 C-N-CA 119.23 -1.462 . . . . 16.66 111.642 -177.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.432 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.9 OUTLIER -79.12 -19.49 50.99 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.312 -0.555 . . . . 50.0 109.772 179.34 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.993 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.4 t -51.42 -27.77 11.08 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 108.463 -0.94 . . . . 16.66 108.463 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.8 m -119.98 14.27 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 114.9 -1.045 . . . . 16.66 111.037 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 69.72 46.57 53.25 Favored Glycine 0 N--CA 1.462 0.405 0 CA-C-N 115.982 -0.554 . . . . 16.66 112.12 178.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.727 HG12 ' HE2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -115.71 166.12 10.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 110.263 -0.273 . . . . 16.66 110.263 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.789 ' N ' ' OE2' ' A' ' 44' ' ' GLU . 9.1 mp -61.25 164.38 5.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.277 0.561 . . . . 50.0 109.976 178.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.51 -56.45 4.42 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.505 -0.771 . . . . 25.0 111.126 -178.327 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.541 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 68.3 m -70.08 -15.43 62.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.973 -0.751 . . . . 50.0 108.973 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.817 ' HA ' HD12 ' A' ' 47' ' ' LEU . 2.4 tt0 -43.27 -18.84 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.329 -0.851 . . . . 50.0 111.361 -178.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.759 ' O ' HG21 ' B' ' 3' ' ' THR . . . -70.78 -46.28 63.2 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 120.319 -0.552 . . . . 25.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' OE1' ' HB1' ' B' ' 7' ' ' ALA . 96.7 mt-10 -87.67 -45.38 10.44 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.142 1.164 . . . . 50.0 114.142 -178.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 1.053 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -55.34 -24.48 29.46 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.086 0.402 . . . . 16.66 112.086 -177.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 1.053 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.3 pp -85.49 171.97 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.366 0.603 . . . . 25.0 109.452 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.632 ' C ' ' HB3' ' B' ' 1' ' ' ALA . 51.0 t0 -158.88 15.97 0.18 Allowed 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.976 -1.011 . . . . 50.0 109.688 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.447 ' N ' ' HB3' ' B' ' 1' ' ' ALA . 22.9 pt-20 -160.41 36.84 0.17 Allowed 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 107.254 -1.387 . . . . 50.0 107.254 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.68 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 19.9 t80 -67.09 146.79 53.92 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 114.981 -1.009 . . . . 16.66 111.155 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.68 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 13.0 t -137.31 159.21 35.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 113.624 -1.625 . . . . 50.0 108.457 177.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.483 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.9 p -80.35 159.44 69.99 Favored Pre-proline 0 N--CA 1.413 -2.305 0 CA-C-O 121.546 0.689 . . . . 16.66 109.904 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.496 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 20.1 Cg_endo -80.37 -25.04 4.97 Favored 'Trans proline' 0 C--N 1.275 -3.312 0 C-N-CA 121.974 1.782 . . . . 16.66 110.241 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.59 -34.44 72.17 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.817 -1.179 . . . . 50.0 107.817 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 1.18 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -82.83 -31.94 27.82 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 114.919 -1.037 . . . . 16.66 109.93 179.199 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.52 ' O ' ' O ' ' A' ' 60' ' ' GLU . 48.9 tt0 -51.55 -29.54 17.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.89 -0.596 . . . . 50.0 111.203 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 t -47.49 -33.1 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.69 -0.404 . . . . 50.0 110.492 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.538 ' HG1' ' HD3' ' A' ' 28' ' ' ARG . 80.7 p -104.85 -3.83 22.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.429 -0.351 . . . . 50.0 111.469 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.52 ' O ' ' O ' ' A' ' 57' ' ' GLN . 47.1 mt-10 -128.22 150.43 50.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.98 0.419 . . . . 50.0 111.136 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -58.03 -37.01 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 50.0 110.521 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.422 ' HA ' HE21 ' A' ' 57' ' ' GLN . . . . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.001 -1.0 . . . . 50.0 110.416 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.632 ' HB3' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' A' ' 26' ' ' CYS . 11.7 ttm105 -100.5 47.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.918 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.759 HG21 ' O ' ' A' ' 45' ' ' ALA . 17.3 m -61.16 141.14 57.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.197 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' M3L . . . . . 0.994 HM13 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 CA--C 1.533 0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 109.273 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.555 ' OE1' ' N ' ' B' ' 5' ' ' GLN . 1.8 pm0 -59.55 151.22 24.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.609 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.7 p -108.07 18.0 21.69 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.453 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.426 ' HB1' ' OE1' ' A' ' 46' ' ' GLU . . . -122.12 -161.13 0.91 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.613 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.401 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 79.7 mtm180 -54.16 143.99 21.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' B' ' 10' ' ' SER . 17.1 ttmm -98.08 136.17 38.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.342 179.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.468 ' O ' ' O ' ' B' ' 9' ' ' LYS . 11.4 p 40.25 97.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.3 t -89.68 173.71 8.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.648 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.86 -29.1 33.34 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.82 65.68 1.09 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -63.33 134.77 56.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.739 0.304 . . . . 0.0 110.609 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.624 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.458 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.435 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.52 -17.3 47.59 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.873 2.382 . . . . 0.0 111.932 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -90.89 132.4 35.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.398 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.38 43.47 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.843 -0.903 . . . . 50.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.621 ' C ' ' H ' ' A' ' 7' ' ' THR . 75.3 m -82.63 10.2 7.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.709 0.29 . . . . 50.0 110.64 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 t0 70.46 -23.06 0.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.193 -0.458 . . . . 50.0 110.748 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.621 ' H ' ' C ' ' A' ' 5' ' ' SER . 64.0 p -124.97 164.49 20.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 50.0 110.267 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -70.94 -175.78 1.21 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.372 0.606 . . . . 50.0 110.714 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.874 HD13 ' H ' ' A' ' 9' ' ' LEU . 3.7 mp -64.24 168.27 5.74 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.966 -1.016 . . . . 50.0 111.236 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.495 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 16.6 m-85 -60.38 -107.51 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.297 -0.865 . . . . 25.0 111.067 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.992 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -32.83 122.49 0.36 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.535 -1.211 . . . . 16.66 112.176 -179.324 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.751 HG21 ' CD1' ' A' ' 33' ' ' TYR . 22.6 pt -47.49 -6.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 113.15 -1.841 . . . . 50.0 109.692 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.949 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -86.67 -3.37 59.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.49 -1.232 . . . . 16.66 110.045 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 11' ' ' CYS . 44.5 mtpt 67.56 72.69 0.33 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.797 -0.638 . . . . 25.0 112.053 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.5 p -146.9 143.09 17.86 Favored Pre-proline 0 CA--C 1.533 0.322 0 C-N-CA 121.008 -0.277 . . . . 50.0 111.273 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.05 169.1 23.21 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.995 2.464 . . . . 50.0 111.499 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.755 ' CZ ' HM22 ' B' ' 4' ' ' M3L . 0.9 OUTLIER -65.77 129.53 40.09 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 121.45 0.643 . . . . 50.0 110.508 -179.47 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.738 ' C ' ' H ' ' A' ' 20' ' ' SER . 89.6 m-20 -140.48 119.03 12.27 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 114.806 -1.088 . . . . 50.0 108.959 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.519 ' HE2' ' HA ' ' B' ' 6' ' ' THR . 73.1 mm-40 -56.2 3.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.376 -0.602 . . . . 50.0 109.376 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.738 ' H ' ' C ' ' A' ' 18' ' ' ASP . 66.9 m -95.47 -25.25 16.31 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 107.962 -1.125 . . . . 50.0 107.962 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.663 ' NZ ' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -99.1 131.49 45.1 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.012 -1.449 . . . . 50.0 107.464 178.523 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 52.4 p90 -108.14 135.45 49.47 Favored 'General case' 0 CA--C 1.498 -1.05 0 C-N-CA 119.53 -0.868 . . . . 16.66 110.033 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.616 ' CG ' ' CM3' ' B' ' 4' ' ' M3L . 72.2 m-85 -110.13 173.16 6.45 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 117.268 2.321 . . . . 50.0 117.268 -174.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.92 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -148.24 128.66 4.81 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 CA-C-N 109.202 -3.635 . . . . 16.66 106.602 177.375 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.521 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -89.57 125.62 7.91 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 120.913 -0.66 . . . . 16.66 114.354 -177.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.468 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -53.04 110.28 0.51 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.197 -1.409 . . . . 16.66 107.197 176.224 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.623 ' H ' ' HA ' ' A' ' 52' ' ' VAL . 60.3 t0 -60.83 -37.8 83.26 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.54 0.686 . . . . 25.0 109.482 -178.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.415 ' HG3' ' HB3' ' A' ' 56' ' ' CYS . 0.2 OUTLIER -97.77 -38.47 9.46 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 114.677 -1.147 . . . . 50.0 110.466 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.305 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.54 -28.24 51.88 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.041 -0.664 . . . . 16.66 110.406 -179.496 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.744 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER 75.56 21.39 1.75 Allowed 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.098 0.777 . . . . 16.66 113.098 178.773 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.601 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 25.8 p30 -135.14 172.07 13.53 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 118.76 0.709 . . . . 50.0 112.316 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.998 ' CD1' HM13 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -118.67 149.18 41.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 116.41 2.004 . . . . 16.66 116.41 -174.417 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.751 ' CD1' HG21 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -136.77 161.84 34.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.66 -1.154 . . . . 50.0 108.319 173.178 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.886 ' ND1' ' SG ' ' A' ' 37' ' ' CYS . 22.5 p-80 -82.68 141.33 32.53 Favored 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 106.036 -1.839 . . . . 16.66 106.036 176.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.496 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -40.11 -49.61 3.55 Favored Glycine 0 C--N 1.304 -1.22 0 C-N-CA 119.983 -1.103 . . . . 16.66 113.691 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.661 ' N ' ' CD ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -74.37 -20.41 60.09 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 117.878 0.839 . . . . 50.0 109.414 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.992 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -51.17 -29.99 15.48 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.385 -0.825 . . . . 16.66 108.78 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.27 13.78 4.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.147 -0.933 . . . . 16.66 110.884 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 67.14 45.75 78.65 Favored Glycine 0 N--CA 1.461 0.308 0 CA-C-N 115.639 -0.709 . . . . 16.66 112.055 178.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.496 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -107.55 167.63 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.933 0.396 . . . . 16.66 110.854 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.612 HD13 ' N ' ' A' ' 41' ' ' LEU . 7.7 mp -61.35 164.76 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.948 -0.569 . . . . 50.0 110.409 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.26 -55.69 5.06 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.575 -0.739 . . . . 25.0 110.151 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.629 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 59.7 m -69.35 -15.87 63.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.412 -0.813 . . . . 50.0 109.205 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.763 ' HA ' HD12 ' A' ' 47' ' ' LEU . 1.1 tm-20 -42.01 -20.26 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 115.336 -0.847 . . . . 50.0 110.977 -178.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.734 ' O ' HG21 ' B' ' 3' ' ' THR . . . -73.12 -47.77 41.35 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 120.419 -0.512 . . . . 25.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -88.17 -41.7 12.81 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.292 1.219 . . . . 50.0 114.292 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 1.046 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.2 pp -55.99 -25.89 46.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.011 0.374 . . . . 16.66 112.011 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 1.046 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.2 pp -85.87 172.22 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.424 0.63 . . . . 25.0 109.728 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.775 ' C ' ' HB3' ' B' ' 1' ' ' ALA . 49.5 t0 -159.59 10.82 0.12 Allowed 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.794 -1.093 . . . . 50.0 109.45 -178.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -158.77 40.85 0.24 Allowed 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 106.525 -1.657 . . . . 50.0 106.525 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.689 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 20.2 t80 -65.95 145.25 56.13 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 114.43 -1.259 . . . . 16.66 111.578 -178.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.689 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 12.9 t -133.92 159.46 42.39 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 113.394 -1.73 . . . . 50.0 108.427 177.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.468 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 6.3 p -81.6 159.38 66.87 Favored Pre-proline 0 N--CA 1.414 -2.253 0 CA-C-O 121.549 0.69 . . . . 16.66 110.138 -179.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 26.5 Cg_endo -81.68 -24.05 4.46 Favored 'Trans proline' 0 C--N 1.278 -3.162 0 C-N-CA 122.01 1.807 . . . . 16.66 109.926 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 55' ' ' GLN . 1.9 tm0? -71.11 -36.12 72.04 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.343 -1.354 . . . . 50.0 107.343 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -76.67 -35.0 58.22 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.726 -1.125 . . . . 16.66 109.388 178.488 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.519 ' O ' ' O ' ' A' ' 60' ' ' GLU . 45.9 tt0 -56.77 -39.78 74.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.693 -0.685 . . . . 50.0 110.877 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.4 m -62.61 -49.37 75.49 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.56 -0.456 . . . . 50.0 110.075 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 56.2 m -74.34 -33.61 63.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.56 . . . . 50.0 110.372 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 56' ' ' CYS . 48.0 tp10 -86.78 137.81 32.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.757 -0.656 . . . . 50.0 110.89 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 62' ' ' ALA . 60.1 t0 -139.25 141.37 37.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.343 -0.39 . . . . 50.0 110.659 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.912 -1.042 . . . . 50.0 110.618 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.775 ' HB3' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.721 HH21 ' N ' ' A' ' 26' ' ' CYS . 18.1 mtm105 -99.73 22.07 11.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.48 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.734 HG21 ' O ' ' A' ' 45' ' ' ALA . 6.0 m -50.47 130.81 24.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.163 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' M3L . . . . . 0.998 HM13 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 C--N 1.33 -0.277 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.437 ' HG3' HG22 ' B' ' 3' ' ' THR . 70.9 mt-30 -99.66 151.89 20.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.914 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.519 ' HA ' ' HE2' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -47.06 116.62 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.871 -179.549 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' B' ' 8' ' ' ARG . . . -171.85 145.04 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.257 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.503 ' O ' ' O ' ' B' ' 7' ' ' ALA . 32.8 ttm180 55.45 152.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.977 0.417 . . . . 0.0 110.586 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.535 ' O ' ' O ' ' B' ' 10' ' ' SER . 44.7 mtpt -80.76 160.52 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.314 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.535 ' O ' ' O ' ' B' ' 9' ' ' LYS . 6.0 m -54.42 -125.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.863 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 16.7 p -121.33 159.22 26.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.602 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.23 12.01 77.13 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.95 57.58 0.43 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -84.46 142.67 29.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.918 0.39 . . . . 0.0 110.478 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.636 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.46 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.434 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.387 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -54.6 -20.1 20.26 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.726 2.284 . . . . 0.0 112.097 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.667 HD11 ' N ' ' A' ' 4' ' ' GLY . 0.3 OUTLIER -89.86 121.44 31.98 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.667 ' N ' HD11 ' A' ' 3' ' ' LEU . . . -101.47 136.64 12.85 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.344 -0.703 . . . . 50.0 111.344 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 t -61.01 -27.09 68.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.872 0.367 . . . . 50.0 110.689 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -60.18 134.93 57.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 50.0 110.791 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.6 p -81.96 163.96 21.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.968 -0.56 . . . . 50.0 110.693 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.482 ' HZ1' ' CG ' ' A' ' 14' ' ' LYS . 10.6 ptmt -74.15 -175.78 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.354 0.597 . . . . 50.0 111.324 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.805 ' N ' HD13 ' A' ' 9' ' ' LEU . 4.5 mp -62.26 -175.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.929 -1.032 . . . . 50.0 111.192 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.566 ' CD1' HM32 ' B' ' 4' ' ' M3L . 16.2 m-85 -60.49 -106.26 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.663 -0.699 . . . . 25.0 112.021 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 1.01 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 9.9 t -35.4 134.17 0.32 Allowed 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 122.026 0.917 . . . . 16.66 112.182 -178.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.788 HG21 ' CD2' ' A' ' 33' ' ' TYR . 19.3 pt -52.14 -7.28 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 113.803 -1.544 . . . . 50.0 108.382 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.984 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -87.1 -8.64 56.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.764 -1.562 . . . . 16.66 110.613 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' CG ' ' HZ1' ' A' ' 8' ' ' LYS . 57.1 mttp 71.49 78.67 0.17 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.171 -0.468 . . . . 25.0 112.1 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.823 ' HG1' ' HE1' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -153.6 149.69 21.73 Favored Pre-proline 0 N--CA 1.468 0.441 0 CA-C-O 120.778 0.323 . . . . 50.0 111.267 179.793 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.46 177.38 8.44 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 123.057 2.505 . . . . 50.0 112.348 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.624 ' CD1' HM21 ' B' ' 4' ' ' M3L . 1.0 OUTLIER -81.05 130.4 35.0 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.367 0.603 . . . . 50.0 110.372 -179.544 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.758 ' C ' ' H ' ' A' ' 20' ' ' SER . 79.7 m-20 -140.38 121.88 15.12 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.046 -0.979 . . . . 50.0 109.12 178.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.78 6.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.272 0.558 . . . . 50.0 109.552 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.758 ' H ' ' C ' ' A' ' 18' ' ' ASP . 17.8 m -101.62 -9.5 20.88 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 107.404 -1.332 . . . . 50.0 107.404 178.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.633 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 17.2 tptt -119.58 130.65 55.24 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 113.165 -1.834 . . . . 50.0 106.176 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 45' ' ' ALA . 51.9 p90 -108.3 145.3 34.6 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 119.446 -0.902 . . . . 16.66 110.046 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.939 ' CG ' HM22 ' B' ' 4' ' ' M3L . 41.1 m-85 -120.63 171.05 8.85 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 116.818 2.155 . . . . 50.0 116.818 -175.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.945 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -149.13 123.76 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 CA-C-N 108.827 -3.806 . . . . 16.66 106.152 176.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.523 ' C ' HH21 ' B' ' 2' ' ' ARG . . . -89.29 128.06 8.99 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 120.592 -0.813 . . . . 16.66 114.589 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.469 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -47.51 108.38 0.15 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 106.956 -1.498 . . . . 16.66 106.956 176.145 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -64.37 -33.66 76.36 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.009 0.909 . . . . 25.0 108.621 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.606 ' HD3' ' HG1' ' A' ' 59' ' ' THR . 45.7 ttm-85 -99.59 -33.07 10.78 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 113.76 -1.564 . . . . 50.0 111.217 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.329 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -86.88 -29.05 22.46 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 119.902 -0.719 . . . . 16.66 110.79 -179.22 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.789 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.3 OUTLIER 85.45 15.47 0.15 Allowed 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.454 1.279 . . . . 16.66 114.454 178.021 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.807 ' H ' HD21 ' A' ' 31' ' ' ASN . 0.0 OUTLIER -135.57 170.97 15.13 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 120.057 1.299 . . . . 50.0 112.227 178.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.714 ' CH2' ' NH1' ' B' ' 2' ' ' ARG . 0.0 OUTLIER -116.01 151.41 35.53 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 116.36 1.985 . . . . 16.66 116.36 -175.109 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.788 ' CD2' HG21 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -140.49 163.91 31.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.612 -1.176 . . . . 50.0 108.636 173.284 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.823 ' HE1' ' HG1' ' A' ' 15' ' ' THR . 0.1 OUTLIER -79.51 132.77 36.42 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 107.412 -1.329 . . . . 16.66 107.412 177.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.563 ' HA2' HG11 ' A' ' 38' ' ' VAL . . . -40.75 -37.68 1.38 Allowed Glycine 0 C--N 1.304 -1.214 0 C-N-CA 119.842 -1.17 . . . . 16.66 110.523 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.605 ' HD3' ' N ' ' A' ' 36' ' ' ARG . 2.2 mmt85 -70.67 -33.04 70.51 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.332 -0.988 . . . . 50.0 108.332 178.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 1.01 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 3.0 t -68.59 -49.36 59.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.974 -1.467 . . . . 16.66 110.652 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -80.12 -12.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.299 -1.319 . . . . 16.66 110.051 -179.516 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.94 45.85 8.1 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.547 -0.621 . . . . 16.66 111.547 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.498 HG21 ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -126.48 171.03 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.24 0.543 . . . . 16.66 112.176 -178.724 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.498 ' N ' HG21 ' A' ' 40' ' ' ILE . 18.4 mt -55.06 166.89 0.47 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.275 -0.875 . . . . 50.0 111.53 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.421 ' HB3' HE21 ' A' ' 42' ' ' GLN . 4.5 tt0 -77.83 -54.0 6.84 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.088 -1.415 . . . . 25.0 110.341 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.55 ' O ' ' N ' ' A' ' 45' ' ' ALA . 23.0 m -72.41 -16.06 61.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.983 -1.008 . . . . 50.0 110.113 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.874 ' HA ' HD12 ' A' ' 47' ' ' LEU . 1.6 mm-40 -42.89 -17.61 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.032 -0.531 . . . . 50.0 110.48 179.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.841 ' O ' HG21 ' B' ' 3' ' ' THR . . . -81.05 -46.9 14.32 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.84 -0.618 . . . . 25.0 111.6 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.647 ' C ' ' H ' ' A' ' 48' ' ' ILE . 48.1 tp10 -87.15 -53.22 4.98 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.782 1.031 . . . . 50.0 113.782 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.874 HD12 ' HA ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -70.33 14.98 0.1 Allowed 'General case' 0 CA--C 1.491 -1.306 0 CA-C-O 121.068 0.461 . . . . 16.66 110.738 -178.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.837 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -109.74 148.2 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.573 0 CA-C-N 115.341 -0.845 . . . . 25.0 113.21 -176.048 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.866 ' HA ' ' H2 ' ' B' ' 1' ' ' ALA . 63.5 t0 -162.99 39.0 0.1 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.699 -1.137 . . . . 50.0 110.775 -178.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.827 ' N ' ' HB3' ' B' ' 1' ' ' ALA . 23.3 pt-20 -177.21 15.62 0.0 OUTLIER 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.011 -0.737 . . . . 50.0 109.011 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.736 ' HH ' ' HA ' ' A' ' 53' ' ' CYS . 1.6 t80 -69.22 148.15 50.26 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.541 -0.754 . . . . 16.66 111.602 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.602 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 20.6 t -132.68 159.53 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 114.443 -1.253 . . . . 50.0 108.537 177.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.469 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.7 p -76.75 156.91 82.55 Favored Pre-proline 0 N--CA 1.416 -2.162 0 CA-C-O 121.556 0.694 . . . . 16.66 110.241 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 47.0 Cg_endo -76.67 -26.27 8.51 Favored 'Trans proline' 0 C--N 1.273 -3.402 0 C-N-CA 121.779 1.653 . . . . 16.66 110.494 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -70.07 -34.92 73.78 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.208 -1.034 . . . . 50.0 108.208 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 1.17 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -83.31 -43.0 16.48 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.026 -0.988 . . . . 16.66 110.148 179.41 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -51.87 -33.04 34.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.816 -0.629 . . . . 50.0 110.887 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.4 m -51.23 -36.62 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.61 -0.436 . . . . 50.0 109.858 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.606 ' HG1' ' HD3' ' A' ' 28' ' ' ARG . 55.4 p -72.65 -36.58 68.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 50.0 110.162 179.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.97 144.57 56.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.158 -0.474 . . . . 50.0 110.537 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 55.58 45.73 24.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 50.0 110.68 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.97 -1.014 . . . . 50.0 110.606 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.866 ' H2 ' ' HA ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.759 HH22 ' N ' ' A' ' 31' ' ' ASN . 25.0 ttp85 -82.92 31.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.661 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.841 HG21 ' O ' ' A' ' 45' ' ' ALA . 63.4 m -63.84 140.66 58.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.167 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' M3L . . . . . 0.939 HM22 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.334 -0.104 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.602 HE22 ' C ' ' A' ' 45' ' ' ALA . 8.3 pt20 -167.24 -179.86 4.74 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.108 -178.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.4 t -60.38 171.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.533 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 42.33 71.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.575 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -58.32 -30.95 67.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.624 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -63.96 130.31 43.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.457 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 2.5 t 174.18 -39.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.25 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 42.3 m -57.63 -37.75 73.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.461 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.56 173.89 21.54 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.95 18.88 62.31 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -57.62 -34.71 69.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.758 0.313 . . . . 0.0 110.591 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.616 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.454 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.47 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -53.28 140.96 61.36 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.76 2.307 . . . . 0.0 112.22 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.482 HD12 HG22 ' A' ' 7' ' ' THR . 28.3 tp -103.99 130.0 51.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.201 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.59 16.61 0.02 OUTLIER Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.942 -0.863 . . . . 50.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -142.69 -157.33 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.924 -0.398 . . . . 50.0 109.924 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -51.18 143.3 11.19 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.628 -0.508 . . . . 50.0 109.628 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.482 HG22 HD12 ' A' ' 3' ' ' LEU . 59.2 p -115.63 178.75 4.19 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.819 0.818 . . . . 50.0 112.083 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -77.23 -175.75 3.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.156 -1.384 . . . . 50.0 111.464 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 1.065 HD11 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -61.39 -171.27 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.878 -0.601 . . . . 50.0 111.844 -179.092 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.582 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 9.4 m-85 -43.06 -114.38 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.427 0.899 . . . . 25.0 113.427 -177.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.981 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 18.2 t -30.94 116.8 0.16 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.384 -1.28 . . . . 16.66 113.307 -177.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.716 HG21 ' CD1' ' A' ' 33' ' ' TYR . 12.5 pt -51.99 -11.48 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 112.958 -1.928 . . . . 50.0 108.937 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.989 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -79.88 6.32 11.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.878 -1.51 . . . . 16.66 110.772 -178.859 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 8.2 mtmp? 69.18 54.53 0.43 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.123 -0.489 . . . . 25.0 111.786 179.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 p -146.21 125.27 6.57 Favored Pre-proline 0 CA--C 1.536 0.437 0 C-N-CA 120.538 -0.465 . . . . 50.0 111.511 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -71.46 -179.3 3.55 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.83 2.353 . . . . 50.0 111.313 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.613 ' CE2' ' CM2' ' B' ' 4' ' ' M3L . 0.6 OUTLIER -64.48 129.46 39.94 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.709 0.766 . . . . 50.0 111.357 -178.747 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.777 ' C ' ' H ' ' A' ' 20' ' ' SER . 86.7 m-20 -141.29 116.51 10.01 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.104 -1.407 . . . . 50.0 107.842 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.11 6.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.251 -0.579 . . . . 50.0 109.487 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.777 ' H ' ' C ' ' A' ' 18' ' ' ASP . 19.0 m -103.48 -7.2 21.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.874 -1.158 . . . . 50.0 107.874 178.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.544 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -119.92 134.16 55.33 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 113.828 -1.533 . . . . 50.0 107.674 179.588 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.775 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 29.2 p90 -106.74 152.8 23.33 Favored 'General case' 0 CA--C 1.497 -1.077 0 C-N-CA 119.786 -0.765 . . . . 16.66 109.479 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.909 ' CG ' HM33 ' B' ' 4' ' ' M3L . 51.4 m-85 -129.35 175.72 8.52 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 116.351 1.982 . . . . 50.0 116.351 -175.037 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.949 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -148.18 134.97 13.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 CA-C-N 109.735 -3.393 . . . . 16.66 106.632 177.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.96 128.9 9.67 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 120.88 -0.676 . . . . 16.66 113.974 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.326 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 1.8 t -55.81 108.14 0.42 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.059 -1.089 . . . . 16.66 108.059 177.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.573 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 57.6 t0 -56.65 -35.46 68.39 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 120.992 0.425 . . . . 25.0 110.508 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.763 ' NH1' ' HG1' ' A' ' 59' ' ' THR . 0.0 OUTLIER -103.98 -31.94 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 50.0 110.69 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.326 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -81.7 -28.21 33.59 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 120.187 -0.605 . . . . 16.66 110.031 -179.525 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.713 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 74.19 20.5 2.68 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.484 0.92 . . . . 16.66 113.484 178.297 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.626 HD21 ' HB2' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -134.37 171.94 13.59 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.957 -0.697 . . . . 50.0 111.338 178.658 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.795 ' CG ' HM32 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -118.78 153.6 34.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 116.184 1.92 . . . . 16.66 116.184 -174.718 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.758 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -140.24 158.44 44.03 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 113.364 -1.744 . . . . 50.0 106.385 172.803 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.806 ' ND1' ' SG ' ' A' ' 37' ' ' CYS . 18.1 p-80 -79.57 148.07 31.88 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 116.505 -2.078 . . . . 16.66 107.364 177.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.568 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -39.06 -61.74 1.35 Allowed Glycine 0 C--N 1.307 -1.053 0 C-N-CA 120.086 -1.055 . . . . 16.66 113.649 -173.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.775 ' NE ' ' HE2' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -68.77 -17.65 64.07 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 119.715 -0.794 . . . . 50.0 110.082 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.989 ' SG ' ' CB ' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -49.47 -33.68 14.92 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.573 -0.899 . . . . 16.66 108.573 179.62 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.1 m -117.29 16.52 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.935 -1.03 . . . . 16.66 110.506 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 70.84 46.2 47.06 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.321 -0.854 . . . . 16.66 112.542 178.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.568 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -114.67 167.94 6.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.12 0.486 . . . . 16.66 110.767 -179.839 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.528 ' N ' HG21 ' A' ' 40' ' ' ILE . 44.2 mt -61.85 164.94 5.78 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.612 -0.722 . . . . 50.0 110.128 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.482 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -78.61 -55.69 5.0 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.531 -0.759 . . . . 25.0 110.634 -178.745 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.629 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 70.1 m -69.56 -15.27 63.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.507 -0.77 . . . . 50.0 109.072 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.823 ' HA ' HD12 ' A' ' 47' ' ' LEU . 1.1 tm-20 -41.55 -19.94 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 115.327 -0.851 . . . . 50.0 111.004 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.719 ' O ' HG21 ' B' ' 3' ' ' THR . . . -73.8 -47.56 37.82 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 120.59 -0.444 . . . . 25.0 111.234 -179.529 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.691 ' HE2' ' HG ' ' B' ' 10' ' ' SER . 85.3 tt0 -86.48 -43.99 12.33 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.774 1.027 . . . . 50.0 113.774 -178.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 1.059 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.1 pp -55.82 -24.85 38.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.096 0.406 . . . . 16.66 112.096 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 1.059 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.3 pp -86.16 172.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 121.71 0.766 . . . . 25.0 109.981 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.409 ' C ' ' HB3' ' B' ' 1' ' ' ALA . 22.4 t70 -158.67 8.25 0.13 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.505 -1.225 . . . . 50.0 109.274 -178.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -153.69 36.9 0.45 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.018 -1.446 . . . . 50.0 107.244 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.669 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 23.6 t80 -66.18 146.3 54.79 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 122.026 0.917 . . . . 16.66 110.872 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.669 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 21.2 t -137.27 158.8 35.76 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-N 113.687 -1.597 . . . . 50.0 109.204 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.002 ' SG ' ' CB ' ' A' ' 56' ' ' CYS . 4.5 p -77.13 161.44 73.17 Favored Pre-proline 0 N--CA 1.417 -2.108 0 CA-C-O 121.37 0.605 . . . . 16.66 109.45 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.512 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 16.2 Cg_endo -81.76 -28.46 2.14 Favored 'Trans proline' 0 C--N 1.278 -3.14 0 C-N-CA 121.954 1.77 . . . . 16.66 111.088 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -71.98 -31.65 66.48 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.184 -1.413 . . . . 50.0 107.184 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 1.19 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 7.6 m -65.03 -56.15 14.78 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.18 -1.373 . . . . 16.66 110.325 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 38.9 tt0 -53.2 -29.19 30.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.249 -0.887 . . . . 50.0 110.904 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.1 t -58.28 -37.48 75.08 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.703 -0.399 . . . . 50.0 110.664 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.763 ' HG1' ' NH1' ' A' ' 28' ' ' ARG . 55.8 p -106.14 -29.4 9.88 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.969 0.359 . . . . 50.0 111.969 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' A' ' 59' ' ' THR . 91.9 mt-10 57.53 126.25 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.834 0.349 . . . . 50.0 110.741 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.424 ' N ' ' NE ' ' A' ' 28' ' ' ARG . 53.6 t0 -59.35 -35.77 74.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 50.0 110.414 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.0 -1.0 . . . . 50.0 110.496 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.409 ' HB3' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.573 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 32.7 mtm180 35.58 48.66 0.46 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.626 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.719 HG21 ' O ' ' A' ' 45' ' ' ALA . 28.2 m -65.37 138.56 58.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' M3L . . . . . 0.909 HM33 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.579 ' NE2' ' H ' ' B' ' 5' ' ' GLN . 1.5 pm0 -93.98 170.55 9.46 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.31 -178.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 38.4 p -109.17 66.28 0.63 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.828 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 44.12 86.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.018 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -126.61 145.06 50.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.203 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -119.95 136.08 54.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.691 ' HG ' ' HE2' ' A' ' 46' ' ' GLU . 49.5 m -128.83 151.29 49.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.573 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 39.7 m -57.31 -37.84 73.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.548 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.01 -154.87 26.98 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.49 6.19 15.48 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 12.2 tptp 61.77 51.51 3.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.77 0.319 . . . . 0.0 110.527 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.562 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.421 'ZN ' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.413 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -54.93 -12.65 5.1 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.918 2.412 . . . . 0.0 112.171 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.762 HD13 ' N ' ' A' ' 3' ' ' LEU . 5.4 mp -81.18 135.13 35.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.857 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.41 -22.65 59.15 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.007 -0.837 . . . . 50.0 111.007 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 m -52.99 -34.31 55.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.518 0.199 . . . . 50.0 110.973 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -126.2 126.54 44.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.774 0.321 . . . . 50.0 110.965 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.0 p -121.62 171.75 8.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.083 -0.508 . . . . 50.0 109.858 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.576 ' NZ ' ' O ' ' A' ' 11' ' ' CYS . 7.0 ptmt -122.17 -175.91 3.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.042 -0.526 . . . . 50.0 111.48 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.997 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -60.98 -176.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.493 -0.776 . . . . 50.0 111.266 -178.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.617 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 10.0 m-85 -54.46 -106.16 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.692 -0.685 . . . . 25.0 110.634 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 36.6 t -36.85 133.48 0.58 Allowed 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 122.005 0.907 . . . . 16.66 112.379 -179.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.749 HG21 ' CD1' ' A' ' 33' ' ' TYR . 12.5 pt -55.57 -7.08 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 113.62 -1.627 . . . . 50.0 108.101 177.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.953 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -84.24 -12.28 55.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 113.612 -1.631 . . . . 16.66 111.601 -179.053 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 34.2 mtmt 78.29 78.61 0.07 Allowed 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 111.948 0.351 . . . . 25.0 111.948 179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.52 141.62 7.98 Favored Pre-proline 0 CA--C 1.535 0.371 0 C-N-CA 120.903 -0.319 . . . . 50.0 110.895 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.26 -165.92 0.27 Allowed 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.764 2.309 . . . . 50.0 111.906 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.763 ' CE1' HM22 ' B' ' 4' ' ' M3L . 0.8 OUTLIER -86.08 130.93 34.38 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 121.716 0.769 . . . . 50.0 110.969 -179.191 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.799 ' C ' ' H ' ' A' ' 20' ' ' SER . 90.6 m-20 -140.76 116.84 10.53 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 114.415 -1.266 . . . . 50.0 108.247 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -57.43 8.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.291 0.567 . . . . 50.0 109.692 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.799 ' H ' ' C ' ' A' ' 18' ' ' ASP . 31.7 m -101.68 -12.28 18.52 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 107.452 -1.314 . . . . 50.0 107.452 178.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.613 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 14.0 tptt -115.26 131.08 57.04 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 113.575 -1.648 . . . . 50.0 106.612 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.762 ' CZ ' ' NE2' ' A' ' 42' ' ' GLN . 46.1 p90 -109.55 142.8 40.1 Favored 'General case' 0 CA--C 1.494 -1.21 0 C-N-CA 119.778 -0.769 . . . . 16.66 109.567 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.989 ' CG ' HM33 ' B' ' 4' ' ' M3L . 38.6 m-85 -119.35 173.81 6.74 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 117.024 2.231 . . . . 50.0 117.024 -174.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.984 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -145.02 134.49 18.32 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 CA-C-N 108.989 -3.732 . . . . 16.66 106.862 177.529 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -94.94 123.96 7.78 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 120.417 -0.897 . . . . 16.66 113.496 -178.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.326 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 1.8 t -48.09 118.24 2.29 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.504 -0.924 . . . . 16.66 108.504 177.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.695 ' HB2' HG23 ' A' ' 52' ' ' VAL . 51.8 t0 -53.1 -37.03 61.36 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.528 -0.469 . . . . 25.0 110.429 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.444 ' C ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -111.61 -37.95 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.807 -0.633 . . . . 50.0 110.2 179.755 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.326 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -72.53 0.44 10.39 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.391 0.615 . . . . 16.66 109.543 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.537 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 4.6 pt20 31.43 33.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.784 -1.098 . . . . 16.66 112.906 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.565 ' OD1' ' OH ' ' A' ' 33' ' ' TYR . 22.0 p30 -134.39 171.2 14.61 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 120.467 -0.493 . . . . 50.0 111.021 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.838 ' CB ' HM32 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -121.8 151.65 40.37 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 116.993 2.22 . . . . 16.66 116.993 -174.045 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.749 ' CD1' HG21 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -141.12 166.03 25.92 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 113.705 -1.589 . . . . 50.0 109.454 173.639 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.613 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -73.67 141.33 46.46 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 106.06 -1.83 . . . . 16.66 106.06 176.421 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.505 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -42.33 -46.64 5.52 Favored Glycine 0 C--N 1.305 -1.153 0 C-N-CA 119.595 -1.288 . . . . 16.66 111.379 -178.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.441 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -78.8 -19.68 51.58 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.189 -0.604 . . . . 50.0 109.765 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 4.0 t -51.68 -28.21 14.02 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 119.588 -0.845 . . . . 16.66 108.858 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.3 m -116.72 9.92 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.071 -0.968 . . . . 16.66 110.684 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 75.21 46.08 17.2 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.676 -0.693 . . . . 16.66 112.512 178.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.544 ' CG2' ' HG2' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -115.77 168.24 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.169 0.509 . . . . 16.66 110.83 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.531 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 66.0 mt -63.38 162.33 12.56 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.581 -0.736 . . . . 50.0 111.252 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.762 ' NE2' ' CZ ' ' A' ' 22' ' ' PHE . 1.2 tp60 -80.39 -55.45 4.88 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.709 0.766 . . . . 25.0 108.933 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.592 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 49.0 m -57.26 -13.99 3.85 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 114.75 -1.114 . . . . 50.0 108.467 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.931 ' O ' HG13 ' A' ' 48' ' ' ILE . 2.5 pp20? -40.82 -52.22 3.05 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 114.934 -1.03 . . . . 50.0 110.409 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.773 ' H ' ' HG3' ' A' ' 44' ' ' GLU . . . -54.86 -36.3 64.95 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 114.705 -1.134 . . . . 25.0 111.43 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' SER . 95.9 mt-10 -89.54 -7.85 54.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.449 1.278 . . . . 50.0 114.449 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 44' ' ' GLU . 2.7 pp -116.28 -20.98 9.54 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 115.122 1.527 . . . . 16.66 115.122 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.931 HG13 ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -86.48 171.08 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-O 121.496 0.665 . . . . 25.0 110.261 -179.324 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -167.91 18.68 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.848 -1.069 . . . . 50.0 109.029 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.48 ' CA ' ' HB3' ' B' ' 1' ' ' ALA . 23.1 pt-20 -160.56 29.07 0.16 Allowed 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 106.75 -1.574 . . . . 50.0 106.75 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.658 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 3.6 t80 -66.83 147.93 52.61 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 114.622 -1.172 . . . . 16.66 110.179 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.695 HG23 ' HB2' ' A' ' 27' ' ' ASP . 21.3 t -134.11 159.52 42.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 CA-C-N 113.957 -1.474 . . . . 50.0 109.098 178.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.018 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 6.3 p -79.83 158.36 73.01 Favored Pre-proline 0 N--CA 1.411 -2.386 0 N-CA-C 109.225 -0.657 . . . . 16.66 109.225 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 32.8 Cg_endo -77.17 -30.61 4.18 Favored 'Trans proline' 0 C--N 1.272 -3.474 0 C-N-CA 121.766 1.644 . . . . 16.66 110.642 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -70.17 -31.52 69.04 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.718 -0.845 . . . . 50.0 108.718 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 1.199 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.6 OUTLIER -73.95 -51.83 14.77 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.565 -0.743 . . . . 16.66 110.412 179.723 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -52.18 -33.19 39.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.988 -0.551 . . . . 50.0 110.859 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.0 t -54.09 -30.45 48.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.161 -0.472 . . . . 50.0 110.887 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.405 ' O ' ' OG1' ' A' ' 59' ' ' THR . 2.8 t -145.41 24.28 1.42 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.586 -0.446 . . . . 50.0 112.113 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' CYS . 85.2 tt0 -52.49 -34.71 50.61 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.301 -0.56 . . . . 50.0 110.144 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 50.8 t0 45.78 45.37 11.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 50.0 110.885 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 61' ' ' ASP . . . . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.063 -0.97 . . . . 50.0 110.572 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.48 ' HB3' ' CA ' ' A' ' 50' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.583 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 3.4 mtm105 -92.12 40.49 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.513 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.74 ' HG1' HD13 ' A' ' 48' ' ' ILE . 16.2 m -56.64 126.05 24.95 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' M3L . . . . . 0.989 HM33 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.476 0.655 . . . . 0.0 110.661 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' B' ' 7' ' ' ALA . 41.6 mt-30 -88.84 162.25 16.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.11 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.439 ' C ' ' O ' ' B' ' 5' ' ' GLN . 0.0 OUTLIER -32.51 89.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.026 -179.772 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.692 ' H ' ' HH ' ' A' ' 17' ' ' TYR . . . -176.29 122.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.234 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.514 ' CG ' ' H ' ' B' ' 9' ' ' LYS . 14.7 tpt180 -159.02 -136.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.08 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.514 ' H ' ' CG ' ' B' ' 8' ' ' ARG . 25.4 tttm -136.75 -33.23 0.79 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.52 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.467 ' O ' ' O ' ' B' ' 9' ' ' LYS . 52.1 p 56.04 118.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.722 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 49.7 m -118.2 141.99 47.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.395 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.47 -166.64 17.26 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.51 33.04 23.39 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -83.16 145.96 28.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.82 0.343 . . . . 0.0 110.513 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.594 -179.894 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.406 'ZN ' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.439 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -55.18 -21.73 29.37 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.697 2.265 . . . . 0.0 112.245 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.6 mt -90.59 134.26 34.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.577 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.05 42.19 78.14 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.979 -0.848 . . . . 50.0 110.979 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -56.98 -50.14 73.61 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.888 -0.325 . . . . 50.0 111.04 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -179.9 -80.33 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.12 0 CA-C-O 120.839 0.352 . . . . 50.0 111.196 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.1 m -81.44 143.94 31.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.294 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -108.77 -177.55 3.34 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.914 -0.584 . . . . 50.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 mt -63.31 174.39 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.853 -0.612 . . . . 50.0 111.867 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.438 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 25.1 m-85 -111.56 -103.66 0.39 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.227 -0.897 . . . . 25.0 110.789 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 1.231 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -36.42 120.52 0.67 Allowed 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.316 1.055 . . . . 16.66 110.597 -179.266 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.671 HG21 ' CD1' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -43.92 -5.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 CA-C-N 112.767 -2.015 . . . . 50.0 110.691 -178.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.998 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -80.88 -22.0 40.18 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.995 -0.548 . . . . 16.66 109.818 177.445 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.719 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 89.81 80.2 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.842 1.053 . . . . 25.0 113.842 177.844 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.595 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 1.1 p -156.62 144.96 14.45 Favored Pre-proline 0 N--CA 1.472 0.64 0 CA-C-N 116.229 -0.441 . . . . 50.0 110.563 177.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.35 -173.82 0.88 Allowed 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.784 2.323 . . . . 50.0 111.898 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.825 ' CD1' HM22 ' B' ' 4' ' ' M3L . 0.9 OUTLIER -82.92 129.22 34.99 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.55 0.69 . . . . 50.0 111.098 -179.315 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.767 ' C ' ' H ' ' A' ' 20' ' ' SER . 88.5 m-20 -140.98 117.33 10.73 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.694 -1.139 . . . . 50.0 109.269 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.55 ' HB3' ' HG1' ' B' ' 6' ' ' THR . 96.6 mt-10 -57.05 4.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.072 -0.714 . . . . 50.0 109.072 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.767 ' H ' ' C ' ' A' ' 18' ' ' ASP . 69.4 m -98.55 -4.03 35.08 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 107.835 -1.172 . . . . 50.0 107.835 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.819 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 1.2 tptm -124.28 130.89 53.3 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 113.702 -1.59 . . . . 50.0 107.202 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -111.04 132.99 53.77 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-O 121.813 0.816 . . . . 16.66 110.888 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.809 ' CG ' HM33 ' B' ' 4' ' ' M3L . 7.1 m-85 -110.22 176.54 5.01 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 124.369 2.033 . . . . 50.0 115.74 -176.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.965 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -149.55 129.76 4.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 109.092 -3.685 . . . . 16.66 106.866 178.56 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.5 126.58 8.07 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 120.885 -0.674 . . . . 16.66 113.671 -177.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.351 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 2.2 t -54.39 110.51 0.63 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.777 0.831 . . . . 16.66 109.858 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.536 ' OD2' ' NH1' ' A' ' 28' ' ' ARG . 65.7 t0 -48.98 -43.28 39.88 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 120.602 -0.439 . . . . 25.0 111.993 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.825 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -113.46 -15.95 12.51 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 119.89 -0.724 . . . . 50.0 110.311 178.69 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.351 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -80.85 -28.31 36.15 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 118.724 -1.191 . . . . 16.66 108.023 178.109 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.672 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.6 OUTLIER 80.79 8.07 1.25 Allowed 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 115.83 1.789 . . . . 16.66 115.83 176.115 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -135.86 173.23 11.94 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 120.799 1.636 . . . . 50.0 114.517 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.776 ' CB ' HM32 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -101.6 147.03 26.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 116.851 2.167 . . . . 16.66 116.851 -174.793 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.721 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -139.21 154.77 48.08 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.026 -1.443 . . . . 50.0 108.684 171.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.966 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -73.97 135.93 43.21 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 105.826 -1.916 . . . . 16.66 105.826 176.163 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.564 ' HA3' HG23 ' A' ' 40' ' ' ILE . . . -42.85 -59.01 3.42 Favored Glycine 0 C--N 1.305 -1.171 0 C-N-CA 119.686 -1.245 . . . . 16.66 112.299 -177.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -64.09 -33.07 74.92 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.401 0.62 . . . . 50.0 110.048 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 1.231 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 48.1 t -55.57 -16.28 3.8 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.024 -0.989 . . . . 16.66 109.509 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.573 HG13 ' CD1' ' A' ' 12' ' ' ILE . 1.3 m -129.38 8.68 2.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 115.73 -0.668 . . . . 16.66 110.367 177.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.03 48.11 10.33 Favored Glycine 0 C--N 1.337 0.605 0 CA-C-N 115.968 -0.56 . . . . 16.66 113.19 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.564 HG23 ' HA3' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -113.22 167.11 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 120.032 -0.667 . . . . 16.66 111.107 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.563 HD13 ' N ' ' A' ' 41' ' ' LEU . 7.3 mp -62.1 165.33 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.765 -0.652 . . . . 50.0 110.152 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.449 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -77.9 -55.2 5.5 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.741 -0.663 . . . . 25.0 110.393 -178.783 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.572 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 53.3 m -70.85 -15.33 62.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.599 -0.728 . . . . 50.0 109.335 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.779 ' HA ' HD12 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -41.62 -21.09 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.229 -0.896 . . . . 50.0 111.178 -178.575 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.716 ' O ' HG21 ' B' ' 3' ' ' THR . . . -67.08 -53.58 29.66 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 120.419 -0.512 . . . . 25.0 111.088 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -86.84 -40.02 15.31 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.665 1.357 . . . . 50.0 114.665 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 1.027 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -56.32 -24.68 45.24 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.272 0.842 . . . . 16.66 113.272 -176.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 1.027 ' N ' HD13 ' A' ' 47' ' ' LEU . 1.4 pp -85.42 171.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.856 0.836 . . . . 25.0 110.394 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.457 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 33.5 t0 -164.15 13.83 0.05 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.156 -1.384 . . . . 50.0 108.532 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.41 ' H ' ' H ' ' A' ' 49' ' ' ASP . 9.2 mt-10 -159.69 35.23 0.19 Allowed 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 113.467 -1.697 . . . . 50.0 106.426 179.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.751 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 14.8 t80 -66.37 148.57 51.68 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 114.851 -1.068 . . . . 16.66 110.842 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.751 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 21.3 t -137.53 158.88 34.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 113.482 -1.69 . . . . 50.0 109.661 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.03 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 5.3 p -76.72 160.86 75.95 Favored Pre-proline 0 N--CA 1.411 -2.394 0 N-CA-C 109.197 -0.668 . . . . 16.66 109.197 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 33.5 Cg_endo -78.63 -32.91 1.91 Allowed 'Trans proline' 0 C--N 1.272 -3.468 0 C-N-CA 121.44 1.427 . . . . 16.66 110.191 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -68.11 -36.99 80.64 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.144 -0.687 . . . . 50.0 109.144 176.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 1.129 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -74.23 -23.02 59.11 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 109.859 -0.423 . . . . 16.66 109.859 179.134 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.435 ' C ' ' H ' ' A' ' 59' ' ' THR . 14.8 tt0 -51.07 -39.44 56.04 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.852 -0.425 . . . . 50.0 109.852 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.506 ' O ' ' OG1' ' A' ' 59' ' ' THR . 8.5 t -79.24 10.36 3.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.828 -0.624 . . . . 50.0 109.48 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 61' ' ' ASP . 5.4 p 67.33 63.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.742 -0.663 . . . . 50.0 110.323 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 59' ' ' THR . 14.7 pt-20 29.95 34.03 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.488 -0.778 . . . . 50.0 112.144 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 59' ' ' THR . 95.7 m-20 -56.67 -37.42 70.81 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.646 -0.421 . . . . 50.0 110.513 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.936 -1.031 . . . . 50.0 110.533 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' B' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.694 ' NH2' ' O ' ' A' ' 26' ' ' CYS . 61.8 mtm-85 32.65 50.31 0.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.41 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.716 HG21 ' O ' ' A' ' 45' ' ' ALA . 26.5 m -61.88 134.9 57.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' M3L . . . . . 0.825 HM22 ' CD1' ' A' ' 17' ' ' TYR . . . . . . . . 0 C--N 1.323 -0.582 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -97.0 164.2 12.63 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.048 0.451 . . . . 0.0 111.443 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.55 ' HG1' ' HB3' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -87.64 85.22 7.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.503 179.532 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.44 72.29 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.076 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -153.5 -175.26 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.545 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -44.43 135.42 4.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.276 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 32.5 t -118.66 144.54 46.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.688 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 62.9 m -119.04 144.16 46.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.374 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.29 -124.17 10.91 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.39 161.13 25.26 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -93.05 142.74 26.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 110.588 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.619 -179.885 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.448 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -53.44 144.21 51.64 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.743 2.295 . . . . 0.0 111.928 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.8 mt 52.22 30.57 8.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.669 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.98 46.17 1.19 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.867 -0.893 . . . . 50.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -61.06 -25.39 66.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.682 0.277 . . . . 50.0 110.922 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -56.33 163.67 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.419 -0.355 . . . . 50.0 110.43 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.7 m -81.74 130.0 34.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.936 0.398 . . . . 50.0 110.766 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -137.11 -176.62 4.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.783 -0.644 . . . . 50.0 110.177 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.9 mt -62.61 160.91 13.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.105 0.479 . . . . 50.0 110.584 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.66 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 6.1 m-85 -83.71 -95.0 0.06 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.948 0.88 . . . . 25.0 109.836 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 1.079 ' SG ' ' CB ' ' A' ' 13' ' ' CYS . 20.0 t -36.86 125.54 0.89 Allowed 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 113.677 -1.601 . . . . 16.66 112.169 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.783 HG21 ' CD1' ' A' ' 33' ' ' TYR . 19.6 pt -53.64 -6.81 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 N-CA-C 107.183 -1.414 . . . . 50.0 107.183 178.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.079 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -88.0 -16.41 33.78 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 113.474 -1.694 . . . . 16.66 110.991 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.58 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 61.1 mttm 80.73 79.44 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.762 0.653 . . . . 25.0 112.762 178.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.792 ' HG1' ' HD2' ' A' ' 16' ' ' PRO . 0.5 OUTLIER -150.86 145.66 18.48 Favored Pre-proline 0 CA--C 1.538 0.497 0 C-N-CA 120.736 -0.385 . . . . 50.0 111.581 179.056 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.792 ' HD2' ' HG1' ' A' ' 15' ' ' THR . 62.4 Cg_endo -73.82 170.68 19.49 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 123.178 2.585 . . . . 50.0 111.654 178.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.673 ' CZ ' ' CM3' ' B' ' 4' ' ' M3L . 0.9 OUTLIER -74.16 129.44 37.83 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 121.67 0.748 . . . . 50.0 111.35 -178.684 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.763 ' C ' ' H ' ' A' ' 20' ' ' SER . 77.3 m-20 -140.69 119.77 12.81 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.377 -1.283 . . . . 50.0 109.073 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.67 3.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.283 0.563 . . . . 50.0 109.541 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.763 ' H ' ' C ' ' A' ' 18' ' ' ASP . 55.9 m -95.27 -28.07 15.18 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 107.998 -1.112 . . . . 50.0 107.998 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.652 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -90.18 131.6 35.93 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.129 -1.396 . . . . 50.0 107.84 178.193 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CZ ' ' NE2' ' A' ' 42' ' ' GLN . 18.0 p90 -106.11 138.16 42.78 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.932 -0.766 . . . . 16.66 108.932 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.878 ' CD2' HM13 ' B' ' 4' ' ' M3L . 88.6 m-85 -116.99 169.66 9.24 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 117.142 2.275 . . . . 50.0 117.142 -174.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.975 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -143.22 128.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 CA-C-N 109.261 -3.609 . . . . 16.66 106.353 176.208 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.616 ' H ' ' HA ' ' B' ' 3' ' ' THR . . . -96.26 125.39 8.41 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 120.537 -0.84 . . . . 16.66 113.306 -177.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.3 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 1.2 t -47.53 119.68 2.86 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.769 -0.716 . . . . 16.66 109.677 178.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.707 ' HB2' HG23 ' A' ' 52' ' ' VAL . 58.6 t0 -53.46 -41.83 66.57 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.363 -0.535 . . . . 25.0 110.565 -179.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.52 -17.33 11.74 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 120.459 -0.496 . . . . 50.0 110.971 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.3 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -90.19 0.85 56.99 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 108.575 -0.898 . . . . 16.66 108.575 179.035 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.617 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 5.0 pt20 31.94 36.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 113.94 -1.482 . . . . 16.66 113.982 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.622 ' OD1' ' OH ' ' A' ' 33' ' ' TYR . 16.6 p30 -135.18 171.2 14.77 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 119.975 -0.69 . . . . 50.0 111.302 177.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.809 ' CG ' HM12 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -119.92 153.0 36.54 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 117.393 2.368 . . . . 16.66 117.393 -173.137 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.783 ' CD1' HG21 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -142.07 159.75 41.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 113.507 -1.679 . . . . 50.0 110.25 174.727 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.783 ' CE1' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -67.31 146.45 54.1 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 104.025 -2.583 . . . . 16.66 104.025 174.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.546 ' C ' HG23 ' A' ' 40' ' ' ILE . . . -45.95 -51.42 10.9 Favored Glycine 0 C--N 1.304 -1.225 0 C-N-CA 118.791 -1.671 . . . . 16.66 110.728 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.449 ' H ' ' HG3' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -75.39 -18.69 59.88 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 120.763 -0.375 . . . . 50.0 110.18 179.563 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 1.065 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 3.0 t -49.84 -29.64 8.39 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.393 -0.966 . . . . 16.66 108.393 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.2 m -115.97 15.33 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.79 -1.095 . . . . 16.66 110.612 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.449 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.49 46.27 33.31 Favored Glycine 0 N--CA 1.462 0.432 0 CA-C-N 115.705 -0.68 . . . . 16.66 112.366 178.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.546 HG23 ' C ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -120.39 168.09 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.086 0.469 . . . . 16.66 111.468 -179.443 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.501 ' N ' HG21 ' A' ' 40' ' ' ILE . 63.8 mt -61.07 165.87 3.97 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.613 -0.721 . . . . 50.0 110.402 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.512 ' NE2' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -79.55 -55.9 4.7 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.415 -0.811 . . . . 25.0 110.976 -179.465 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.591 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 72.7 m -67.61 -15.26 63.56 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.264 -0.88 . . . . 50.0 109.036 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.779 ' HA ' HD12 ' A' ' 47' ' ' LEU . 1.1 tm-20 -42.07 -19.94 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 115.29 -0.868 . . . . 50.0 110.288 -179.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.625 ' O ' HG21 ' B' ' 3' ' ' THR . . . -74.52 -45.04 48.31 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.905 -0.589 . . . . 25.0 110.626 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' SER . 46.8 tp10 -86.95 -45.71 10.54 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.839 1.052 . . . . 50.0 113.839 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 1.0 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.5 pp -55.83 -25.3 41.11 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.392 0.516 . . . . 16.66 112.392 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 1.0 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.3 pp -86.17 172.66 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.703 0.763 . . . . 25.0 110.398 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.7 ' C ' ' HB3' ' B' ' 1' ' ' ALA . 23.8 t70 -161.9 25.73 0.12 Allowed 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.294 -1.321 . . . . 50.0 109.213 -179.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -170.29 39.22 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 106.574 -1.639 . . . . 50.0 106.574 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.741 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 29.9 t80 -66.0 147.15 53.8 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.813 -1.085 . . . . 16.66 111.528 -178.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.741 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 23.8 t -136.15 159.53 38.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 113.594 -1.639 . . . . 50.0 109.445 178.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.153 ' SG ' ' CB ' ' A' ' 56' ' ' CYS . 2.3 p -80.45 161.26 65.26 Favored Pre-proline 0 N--CA 1.417 -2.076 0 N-CA-C 109.344 -0.613 . . . . 16.66 109.344 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.466 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 15.9 Cg_endo -82.21 -29.74 1.46 Allowed 'Trans proline' 0 C--N 1.277 -3.19 0 C-N-CA 121.956 1.77 . . . . 16.66 112.396 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.452 ' O ' ' OG ' ' A' ' 58' ' ' SER . 97.3 mt-30 -83.05 -18.34 40.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.003 -1.11 . . . . 50.0 108.003 177.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 1.153 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 91.9 m -60.03 -45.25 93.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.185 -1.371 . . . . 16.66 111.156 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -55.99 -35.55 66.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.688 -0.687 . . . . 50.0 111.073 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 55' ' ' GLN . 81.3 p -67.64 -23.85 65.39 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.724 -0.39 . . . . 50.0 109.999 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.492 ' O ' ' O ' ' A' ' 60' ' ' GLU . 96.9 m -93.9 -74.14 0.55 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.911 -0.586 . . . . 50.0 111.281 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.492 ' O ' ' O ' ' A' ' 59' ' ' THR . 98.3 mt-10 56.7 141.58 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.272 -0.422 . . . . 50.0 110.858 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -55.58 -36.63 67.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 50.0 110.43 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.546 0 CA-C-O 118.1 -0.953 . . . . 50.0 110.686 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.7 ' HB3' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.617 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 3.4 ttm-85 -86.61 32.45 0.65 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.704 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.845 ' HG1' ' CD1' ' A' ' 48' ' ' ILE . 5.7 m -62.84 145.73 54.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' M3L . . . . . 0.878 HM13 ' CD2' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--O 1.236 0.347 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.443 ' OE1' ' OE2' ' A' ' 46' ' ' GLU . 78.1 mm-40 -71.62 149.72 45.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.375 -179.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.0 t -138.62 161.47 37.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.159 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.13 142.85 58.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.791 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.607 ' O ' ' N ' ' B' ' 10' ' ' SER . 22.2 mtp-105 -60.13 -33.93 72.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' B' ' 8' ' ' ARG . 33.1 mmtp -36.39 86.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.259 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.607 ' N ' ' O ' ' B' ' 8' ' ' ARG . 21.6 m -154.9 130.76 10.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.232 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 7.3 t -145.91 154.88 42.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.726 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.43 172.75 45.52 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.27 -170.57 54.92 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -105.49 148.18 27.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.739 0.304 . . . . 0.0 110.398 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.538 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.408 'ZN ' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.422 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.8 137.67 54.72 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.76 2.307 . . . . 0.0 112.067 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.3 mt -112.49 134.14 54.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.427 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.32 -178.88 37.95 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.019 -0.832 . . . . 50.0 111.019 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.432 ' O ' ' CG ' ' A' ' 6' ' ' ASP . 85.4 p -65.53 -22.74 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 50.0 110.564 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 5' ' ' SER . 6.7 p-10 44.15 91.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 50.0 110.559 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -81.69 163.28 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 50.0 110.353 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -93.89 176.2 6.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.159 0.504 . . . . 50.0 111.142 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.5 mt -84.89 160.81 20.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.462 -0.79 . . . . 50.0 111.063 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.548 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 16.3 m-85 -106.81 -94.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.712 -0.676 . . . . 25.0 111.622 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.955 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 14.7 t -35.61 135.04 0.29 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.207 -0.906 . . . . 16.66 112.299 -178.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.728 HG21 ' CD1' ' A' ' 33' ' ' TYR . 19.1 pt -52.01 -7.34 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 113.879 -1.509 . . . . 50.0 107.984 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -86.2 -22.39 26.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 113.403 -1.726 . . . . 16.66 110.928 -179.497 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.604 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 95.3 mttt 82.53 78.87 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.943 0.349 . . . . 25.0 111.943 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.578 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 60.7 p -149.31 147.89 24.82 Favored Pre-proline 0 N--CA 1.468 0.453 0 CA-C-O 120.686 0.279 . . . . 50.0 111.285 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.7 -179.57 3.87 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.935 2.423 . . . . 50.0 111.68 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.678 ' CZ ' ' CM3' ' B' ' 4' ' ' M3L . 0.9 OUTLIER -83.49 130.32 35.01 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 121.516 0.674 . . . . 50.0 111.027 -179.148 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.801 ' C ' ' H ' ' A' ' 20' ' ' SER . 86.4 m-20 -140.75 119.83 12.81 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 114.648 -1.16 . . . . 50.0 109.38 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.55 8.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.34 0.59 . . . . 50.0 109.562 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.801 ' H ' ' C ' ' A' ' 18' ' ' ASP . 32.1 m -100.73 -21.43 15.2 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.694 -1.224 . . . . 50.0 107.694 178.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.741 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 2.8 tppt? -100.21 129.56 46.24 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 113.527 -1.67 . . . . 50.0 106.713 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 24.3 p90 -104.52 148.54 26.37 Favored 'General case' 0 CA--C 1.493 -1.214 0 C-N-CA 119.618 -0.833 . . . . 16.66 109.295 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.919 ' CD2' HM13 ' B' ' 4' ' ' M3L . 94.7 m-85 -124.6 169.48 11.88 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 117.538 2.421 . . . . 50.0 117.538 -173.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.942 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -145.81 131.28 12.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.196 0 CA-C-N 109.13 -3.668 . . . . 16.66 106.286 176.376 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.503 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -97.87 126.23 8.8 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 120.47 -0.871 . . . . 16.66 114.269 -177.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.308 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER -52.08 113.32 0.98 Allowed 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.588 -1.264 . . . . 16.66 107.588 176.384 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.497 ' CG ' ' O ' ' A' ' 51' ' ' TYR . 83.1 m-20 -64.32 -40.6 96.23 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-O 121.678 0.752 . . . . 25.0 109.119 -179.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 -93.83 -37.25 11.85 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.315 -1.311 . . . . 50.0 110.761 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.308 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -78.41 -28.66 46.86 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 119.857 -0.737 . . . . 16.66 110.069 -179.722 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.749 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 78.03 16.79 1.33 Allowed 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.321 1.23 . . . . 16.66 114.321 177.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.624 ' ND2' ' OH ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -136.33 173.68 11.45 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 119.714 1.143 . . . . 50.0 113.451 179.495 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.785 ' CG ' HM12 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -113.21 150.9 31.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 117.563 2.431 . . . . 16.66 117.563 -173.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.728 ' CD1' HG21 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -141.06 163.33 33.27 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 113.478 -1.692 . . . . 50.0 109.261 172.613 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.741 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -73.91 139.5 45.0 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.202 -2.147 . . . . 16.66 105.202 176.375 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.532 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -41.65 -46.16 4.68 Favored Glycine 0 C--N 1.308 -0.987 0 C-N-CA 119.267 -1.445 . . . . 16.66 111.683 -177.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 39' ' ' GLY . 1.7 ptm180 -80.31 -18.67 48.53 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.358 -0.537 . . . . 50.0 109.955 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.6 t -51.02 -28.5 10.21 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 119.272 -0.971 . . . . 16.66 108.719 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.5 m -117.79 12.84 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 114.677 -1.147 . . . . 16.66 110.459 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 71.35 46.64 40.38 Favored Glycine 0 N--CA 1.46 0.295 0 CA-C-N 115.679 -0.691 . . . . 16.66 111.957 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.532 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -114.99 168.33 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.121 0.486 . . . . 16.66 111.354 -179.459 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.521 ' N ' HG21 ' A' ' 40' ' ' ILE . 46.7 mt -60.94 164.45 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.573 -0.74 . . . . 50.0 110.042 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.489 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -78.54 -55.08 5.49 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.517 -0.765 . . . . 25.0 110.207 -179.101 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.543 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 74.3 m -70.16 -14.72 62.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.221 -0.899 . . . . 50.0 109.377 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.764 ' HA ' HD12 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -41.58 -20.6 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.34 -0.846 . . . . 50.0 110.869 -178.714 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.788 ' O ' HG21 ' B' ' 3' ' ' THR . . . -75.26 -41.44 57.31 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 120.579 -0.448 . . . . 25.0 110.694 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 43' ' ' SER . 81.2 tt0 -87.66 -47.4 8.7 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.907 1.077 . . . . 50.0 113.907 -178.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 1.011 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -55.46 -26.13 40.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.515 0.561 . . . . 16.66 112.515 -177.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 1.011 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.3 pp -86.14 172.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.527 0.679 . . . . 25.0 109.788 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.709 ' C ' ' HB3' ' B' ' 1' ' ' ALA . 47.0 t0 -154.02 0.46 0.22 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.653 -1.158 . . . . 50.0 109.707 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -147.98 44.8 1.08 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.197 -1.408 . . . . 50.0 107.197 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.644 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 21.6 t80 -66.49 142.57 57.5 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.951 -1.022 . . . . 16.66 111.175 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.644 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 14.8 t -133.02 158.85 43.37 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 113.606 -1.634 . . . . 50.0 108.159 177.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.003 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 6.7 p -80.25 161.0 66.73 Favored Pre-proline 0 N--CA 1.414 -2.227 0 CA-C-O 121.595 0.712 . . . . 16.66 109.997 -178.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.557 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 25.0 Cg_endo -79.14 -25.4 5.96 Favored 'Trans proline' 0 C--N 1.276 -3.244 0 C-N-CA 122.108 1.872 . . . . 16.66 110.657 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -74.57 -30.45 61.72 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.029 -0.987 . . . . 50.0 108.504 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -86.23 -47.01 9.82 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.496 -0.775 . . . . 16.66 111.245 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 58' ' ' SER . 10.5 pt20 -49.87 -41.59 45.8 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.734 -0.386 . . . . 50.0 110.63 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.441 ' N ' ' CG ' ' A' ' 57' ' ' GLN . 19.7 t -60.93 -36.89 80.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.225 -0.443 . . . . 50.0 110.155 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.0 m -62.8 -41.69 99.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 50.0 111.069 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -96.21 150.74 20.2 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.817 -0.353 . . . . 50.0 110.962 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -56.57 -37.75 71.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 50.0 110.842 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.567 0 CA-C-O 117.993 -1.004 . . . . 50.0 110.555 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.709 ' HB3' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.735 HH21 ' N ' ' A' ' 26' ' ' CYS . 21.9 mtm105 -88.96 25.37 1.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.965 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.811 ' HG1' ' CD1' ' A' ' 48' ' ' ILE . 18.0 m -54.1 132.71 43.34 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.581 -0.447 . . . . 0.0 109.831 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' M3L . . . . . 0.919 HM13 ' CD2' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.324 -0.52 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -95.42 142.73 27.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.098 0.475 . . . . 0.0 112.03 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.618 HG22 ' OH ' ' A' ' 17' ' ' TYR . 39.9 p -121.31 22.89 10.67 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.516 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.35 179.24 0.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.497 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 42.51 39.43 1.55 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.503 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -58.94 -34.49 71.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.664 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 32.3 t -115.33 145.03 42.89 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 48.1 m -118.21 134.71 54.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.418 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.51 -176.15 45.88 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 58.68 -87.26 0.02 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -82.19 145.09 30.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.493 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.574 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.414 'ZN ' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.445 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.498 ' H1 ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.492 2.388 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.498 ' CD ' ' H1 ' ' A' ' 1' ' ' GLY . 41.7 Cg_exo -54.35 -20.32 19.75 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.794 2.329 . . . . 0.0 112.043 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.717 HD11 ' N ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -88.88 128.47 35.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.777 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.717 ' N ' HD11 ' A' ' 3' ' ' LEU . . . -155.28 -163.7 12.36 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.812 -0.915 . . . . 50.0 110.812 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -57.92 -27.53 63.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 50.0 110.342 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.407 ' OD2' ' C ' ' A' ' 6' ' ' ASP . 52.4 p30 -75.51 -177.71 3.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 50.0 110.461 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.9 p -112.99 162.22 16.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.336 -0.393 . . . . 50.0 110.712 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -90.82 154.1 19.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.86 -0.609 . . . . 50.0 110.94 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.686 HD23 ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -62.36 -174.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.644 -0.707 . . . . 50.0 110.746 179.678 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.686 ' N ' HD23 ' A' ' 9' ' ' LEU . 2.8 m-85 -57.04 -117.53 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.682 0.753 . . . . 25.0 112.461 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 1.02 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 2.3 t -34.52 124.74 0.52 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.429 -1.26 . . . . 16.66 113.568 -178.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.622 HG21 ' CD1' ' A' ' 33' ' ' TYR . 18.2 pt -55.8 -7.12 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 112.56 -2.109 . . . . 50.0 109.343 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.015 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -78.56 -17.33 56.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.676 -1.147 . . . . 16.66 110.679 -179.648 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.581 ' O ' ' CG ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 90.11 36.84 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.531 0.52 . . . . 25.0 112.339 179.03 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.22 126.75 24.28 Favored Pre-proline 0 CA--C 1.542 0.651 0 O-C-N 122.216 -0.302 . . . . 50.0 110.852 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.91 -162.35 0.06 OUTLIER 'Trans proline' 0 N--CA 1.5 1.897 0 C-N-CA 122.531 2.154 . . . . 50.0 112.252 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.783 ' CE1' HM32 ' B' ' 4' ' ' M3L . 0.5 OUTLIER -76.31 131.78 39.41 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.735 0.779 . . . . 50.0 111.622 -178.293 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.825 ' C ' ' H ' ' A' ' 20' ' ' SER . 75.7 m-20 -140.83 112.84 7.75 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.179 -1.373 . . . . 50.0 107.775 177.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -54.78 7.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.176 0.512 . . . . 50.0 110.15 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.825 ' H ' ' C ' ' A' ' 18' ' ' ASP . 3.6 t -106.9 -3.99 19.65 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.965 -1.124 . . . . 50.0 107.965 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.83 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -120.24 134.01 55.35 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 114.095 -1.412 . . . . 50.0 108.503 -179.886 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.433 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 35.6 p90 -110.8 137.07 48.91 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-O 121.77 0.795 . . . . 16.66 110.606 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 1.0 ' CG ' HM13 ' B' ' 4' ' ' M3L . 26.4 m-85 -113.88 174.48 5.91 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 116.395 1.998 . . . . 50.0 116.395 -176.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.986 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -144.56 135.14 20.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-N 109.468 -3.514 . . . . 16.66 107.058 177.712 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.47 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -95.79 126.52 8.81 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 120.755 -0.736 . . . . 16.66 113.775 -178.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.336 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 7.4 t -54.96 121.46 8.72 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.394 0.678 . . . . 16.66 109.564 177.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.68 ' HB2' HG23 ' A' ' 52' ' ' VAL . 57.6 t0 -54.58 -34.96 62.78 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.604 -0.438 . . . . 25.0 110.845 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.4 ' NE ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER -109.16 -37.22 5.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.269 -0.423 . . . . 50.0 110.75 -179.721 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.336 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.16 -4.7 45.94 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.369 0.604 . . . . 16.66 110.203 -179.041 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 29' ' ' CYS . 3.8 pp0? 34.85 34.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.991 -1.004 . . . . 16.66 112.373 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.505 ' OD1' ' OH ' ' A' ' 33' ' ' TYR . 19.7 p30 -133.72 170.74 15.12 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 120.598 -0.441 . . . . 50.0 110.541 178.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.801 ' CB ' HM12 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -123.02 153.7 39.47 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 116.512 2.041 . . . . 16.66 116.512 -174.014 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.753 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -139.87 157.46 45.68 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 113.61 -1.632 . . . . 50.0 109.236 173.894 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.875 ' ND1' ' SG ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -69.5 143.9 53.33 Favored 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 105.651 -1.981 . . . . 16.66 105.651 176.124 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.544 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -42.64 -55.71 4.51 Favored Glycine 0 C--N 1.309 -0.937 0 C-N-CA 119.553 -1.308 . . . . 16.66 111.78 -177.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -73.82 -19.25 60.8 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.741 -0.384 . . . . 50.0 110.02 179.565 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 1.02 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.7 t -50.26 -28.87 8.43 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.648 -0.871 . . . . 16.66 108.648 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.6 m -119.26 11.74 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.851 -1.068 . . . . 16.66 110.145 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.506 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 73.33 46.5 26.3 Favored Glycine 0 CA--C 1.518 0.237 0 CA-C-N 115.495 -0.775 . . . . 16.66 112.307 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.544 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -113.93 168.08 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.061 0.458 . . . . 16.66 111.025 -179.687 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.518 ' N ' HG21 ' A' ' 40' ' ' ILE . 33.7 mt -61.48 165.74 4.59 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.643 -0.708 . . . . 50.0 110.338 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.426 ' CA ' HE21 ' A' ' 42' ' ' GLN . 0.4 OUTLIER -79.67 -55.93 4.66 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.459 -0.791 . . . . 25.0 110.966 -179.361 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.636 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 74.7 m -67.35 -16.02 64.02 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.481 -0.781 . . . . 50.0 109.027 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.773 ' HA ' HD12 ' A' ' 47' ' ' LEU . 1.1 tm-20 -42.11 -20.47 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 115.435 -0.802 . . . . 50.0 110.377 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.811 ' O ' HG21 ' B' ' 3' ' ' THR . . . -72.09 -48.91 40.56 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.914 -0.585 . . . . 25.0 110.681 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 43' ' ' SER . 49.9 mt-10 -87.96 -43.06 12.04 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 114.441 1.274 . . . . 50.0 114.441 -178.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 1.048 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -55.43 -26.02 39.57 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.294 0.479 . . . . 16.66 112.294 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 1.048 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.2 pp -85.76 172.3 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.56 0.695 . . . . 25.0 109.95 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.558 ' C ' ' HB3' ' B' ' 1' ' ' ALA . 49.7 t0 -159.23 10.59 0.13 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.695 -1.139 . . . . 50.0 109.41 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.405 ' N ' ' HB3' ' B' ' 1' ' ' ALA . 20.7 pt-20 -158.29 41.56 0.27 Allowed 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 106.337 -1.727 . . . . 50.0 106.337 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.692 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 27.8 t80 -66.19 146.89 54.11 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.556 -1.202 . . . . 16.66 111.383 -178.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.692 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 21.7 t -135.61 157.3 39.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.149 0 CA-C-N 113.549 -1.659 . . . . 50.0 109.025 178.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.231 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 1.8 p -79.06 161.96 66.33 Favored Pre-proline 0 N--CA 1.416 -2.145 0 N-CA-C 108.79 -0.818 . . . . 16.66 108.79 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 21.0 Cg_endo -82.87 -29.32 1.33 Allowed 'Trans proline' 0 C--N 1.276 -3.246 0 C-N-CA 121.721 1.614 . . . . 16.66 111.377 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -73.79 -30.36 62.7 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.537 -0.912 . . . . 50.0 108.537 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.963 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 10.6 m -63.08 -37.28 86.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.949 -1.023 . . . . 16.66 109.665 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -57.48 -27.12 62.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.556 -0.747 . . . . 50.0 111.006 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.6 m -45.8 -32.59 2.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.295 -0.411 . . . . 50.0 110.497 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.4 ' CG2' ' NE ' ' A' ' 28' ' ' ARG . 3.3 t -132.96 -7.64 3.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.424 -0.353 . . . . 50.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -105.05 144.35 31.98 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.885 0.374 . . . . 50.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 53.5 p30 -98.52 166.61 11.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.499 . . . . 50.0 110.386 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.033 -0.984 . . . . 50.0 110.644 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.558 ' HB3' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.6 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 37.6 mtm180 33.99 41.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.507 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.867 ' HG1' ' CD1' ' A' ' 48' ' ' ILE . 18.9 m -70.23 136.53 50.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' M3L . . . . . 1.0 HM13 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 121.103 0.478 . . . . 0.0 110.062 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.569 ' C ' ' H ' ' B' ' 7' ' ' ALA . 8.7 pt20 -146.95 167.55 23.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.981 0.42 . . . . 0.0 111.149 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 15.1 t -72.16 22.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.068 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.569 ' H ' ' C ' ' B' ' 5' ' ' GLN . . . -133.29 81.47 1.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.401 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -127.54 131.67 50.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.759 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -131.02 162.74 29.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.072 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 27.3 t -63.11 136.13 57.6 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.566 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 59.5 p -127.53 166.18 18.48 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.622 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.5 90.84 0.18 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.93 173.45 46.61 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -59.7 -38.35 81.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.702 0.287 . . . . 0.0 110.561 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.618 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.494 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.413 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.364 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -55.18 133.74 59.82 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.552 2.168 . . . . 0.0 111.723 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 3' ' ' LEU . 29.8 tp -118.44 140.6 49.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.862 0.363 . . . . 0.0 110.855 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.05 166.13 25.88 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.057 -0.817 . . . . 50.0 111.057 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 t -137.1 27.72 2.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.799 0.333 . . . . 50.0 110.607 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.456 ' C ' ' OD1' ' A' ' 6' ' ' ASP . 41.7 p30 -139.01 -173.48 3.59 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.389 -0.369 . . . . 50.0 110.847 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.6 p -118.78 170.24 9.16 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.049 -0.523 . . . . 50.0 110.647 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -135.12 154.02 51.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.355 0.597 . . . . 50.0 111.685 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.838 HD23 ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -63.15 -172.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.089 -0.959 . . . . 50.0 110.469 179.206 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.838 ' N ' HD23 ' A' ' 9' ' ' LEU . 1.5 m-85 -60.72 -122.63 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 -177.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 1.072 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 1.2 t -33.66 124.39 0.44 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.201 -1.363 . . . . 16.66 112.975 -178.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.71 HG21 ' CD1' ' A' ' 33' ' ' TYR . 20.2 pt -52.77 -6.99 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-N 112.385 -2.189 . . . . 50.0 109.153 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.042 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -83.12 -3.58 57.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.431 -1.259 . . . . 16.66 109.939 179.587 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 67.7 mttm 67.57 58.14 0.53 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.756 -0.657 . . . . 25.0 112.412 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 m -141.0 121.28 8.66 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 120.866 -0.334 . . . . 50.0 111.292 178.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -50.29 -174.43 0.01 OUTLIER 'Trans proline' 0 N--CA 1.502 1.978 0 C-N-CA 123.359 2.706 . . . . 50.0 113.366 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.695 ' CZ ' HM12 ' B' ' 4' ' ' M3L . 0.9 OUTLIER -78.9 131.27 36.34 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 121.48 0.657 . . . . 50.0 111.238 -179.296 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.776 ' C ' ' H ' ' A' ' 20' ' ' SER . 94.6 m-20 -141.56 117.02 10.2 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.618 -1.174 . . . . 50.0 108.457 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.567 ' OE2' ' O ' ' B' ' 9' ' ' LYS . 96.4 mt-10 -53.52 4.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.17 0.509 . . . . 50.0 110.233 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.776 ' H ' ' C ' ' A' ' 18' ' ' ASP . 5.8 m -98.18 -12.79 21.34 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 107.972 -1.121 . . . . 50.0 107.972 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.839 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -111.99 134.67 53.4 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 113.852 -1.522 . . . . 50.0 108.69 179.629 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.46 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 49.0 p90 -112.18 128.87 56.36 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 122.067 0.936 . . . . 16.66 110.759 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.68 ' HB2' ' HB3' ' B' ' 4' ' ' M3L . 40.3 m-85 -104.26 174.76 5.73 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 116.3 1.963 . . . . 50.0 116.3 -175.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.935 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -149.51 128.49 3.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 109.482 -3.508 . . . . 16.66 106.571 177.765 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -88.49 122.29 6.3 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 114.75 0.66 . . . . 16.66 114.75 -177.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.458 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -49.48 113.38 0.81 Allowed 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.434 -1.691 . . . . 16.66 106.434 175.454 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.598 ' H ' ' HA ' ' A' ' 52' ' ' VAL . 64.2 t0 -62.83 -37.09 85.4 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 121.904 0.859 . . . . 25.0 108.997 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.57 ' NE ' ' O ' ' A' ' 59' ' ' THR . 32.6 ttt-85 -96.47 -40.94 8.83 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.09 -1.413 . . . . 50.0 110.569 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.313 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.1 -24.31 51.79 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 119.996 -0.682 . . . . 16.66 110.554 -178.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.738 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 68.29 25.03 7.23 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.04 0.755 . . . . 16.66 113.04 178.357 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.588 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 26.3 p30 -134.44 170.86 15.12 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 120.363 -0.535 . . . . 50.0 111.499 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 1.042 ' CD1' HM33 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -120.23 150.17 41.1 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 115.825 1.787 . . . . 16.66 115.825 -175.145 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.71 ' CD1' HG21 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -137.59 160.27 39.65 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.193 -1.367 . . . . 50.0 109.113 174.208 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.842 ' CE1' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -73.85 142.26 46.08 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 105.162 -2.162 . . . . 16.66 105.162 175.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.507 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -42.08 -53.66 4.68 Favored Glycine 0 C--N 1.306 -1.117 0 C-N-CA 119.648 -1.263 . . . . 16.66 112.117 -177.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.513 ' C ' ' H ' ' A' ' 39' ' ' GLY . 2.8 ptt180 -75.22 -20.4 59.27 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 120.575 -0.45 . . . . 50.0 110.054 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 1.072 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.8 t -51.43 -26.75 8.6 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 108.807 -0.812 . . . . 16.66 108.807 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.7 m -121.13 8.1 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.705 -1.134 . . . . 16.66 110.079 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.513 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 74.41 47.04 17.79 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-N 115.707 -0.679 . . . . 16.66 111.718 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.507 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -112.35 165.95 6.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.735 -0.386 . . . . 16.66 110.607 -179.335 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.909 ' H ' ' HE2' ' A' ' 44' ' ' GLU . 90.1 mt -59.17 164.57 3.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.298 0.57 . . . . 50.0 109.668 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.453 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.5 OUTLIER -78.78 -55.5 5.12 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.317 -0.856 . . . . 25.0 110.618 -178.513 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.625 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 73.8 m -70.78 -15.79 62.7 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.095 -0.957 . . . . 50.0 109.653 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.909 ' HE2' ' H ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -42.98 -19.13 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.601 -0.727 . . . . 50.0 111.124 -178.158 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.709 ' O ' HG21 ' B' ' 3' ' ' THR . . . -71.15 -50.42 33.59 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.637 -0.425 . . . . 25.0 111.605 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.19 -41.12 13.98 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.235 1.198 . . . . 50.0 114.235 -178.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 1.037 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -56.27 -23.99 39.94 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.12 0.415 . . . . 16.66 112.12 -178.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 1.037 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.1 pp -85.7 171.54 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.417 0.627 . . . . 25.0 109.793 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.581 ' C ' ' HB3' ' B' ' 1' ' ' ALA . 37.8 t0 -160.75 20.29 0.13 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.905 -1.043 . . . . 50.0 109.44 -178.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.431 ' HA ' ' HB3' ' B' ' 1' ' ' ALA . 0.8 OUTLIER -169.93 39.61 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 106.05 -1.833 . . . . 50.0 106.05 179.518 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.666 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 28.2 t80 -66.15 143.06 57.52 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.454 -1.248 . . . . 16.66 111.487 -178.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.666 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 14.4 t -131.02 159.22 43.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 113.709 -1.587 . . . . 50.0 108.643 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.458 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 5.7 p -81.75 159.4 66.39 Favored Pre-proline 0 N--CA 1.413 -2.287 0 CA-C-O 121.252 0.549 . . . . 16.66 109.578 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 26.1 Cg_endo -81.8 -25.71 3.43 Favored 'Trans proline' 0 C--N 1.277 -3.188 0 C-N-CA 121.686 1.59 . . . . 16.66 109.754 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -69.2 -36.45 77.29 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.395 -1.335 . . . . 50.0 107.395 176.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -81.52 -34.58 31.12 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.112 -0.949 . . . . 16.66 109.661 178.512 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -51.51 -36.27 44.01 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.943 -0.571 . . . . 50.0 110.812 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.5 p -59.15 -20.49 54.17 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.573 -0.451 . . . . 50.0 109.983 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.57 ' O ' ' NE ' ' A' ' 28' ' ' ARG . 1.8 m -143.17 46.9 1.53 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.254 -0.43 . . . . 50.0 111.761 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -41.16 -33.06 0.31 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.924 0.393 . . . . 50.0 110.304 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -81.72 119.99 24.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.024 -0.534 . . . . 50.0 110.685 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.957 -1.02 . . . . 50.0 110.628 -179.892 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.581 ' HB3' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.551 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 75.4 mtm-85 -96.27 58.53 1.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.709 HG21 ' O ' ' A' ' 45' ' ' ALA . 15.1 m -67.75 131.76 46.16 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' M3L . . . . . 1.042 HM33 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 C--N 1.326 -0.42 0 CA-C-O 121.169 0.509 . . . . 0.0 109.679 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.469 ' O ' ' OH ' ' A' ' 17' ' ' TYR . 0.3 OUTLIER -114.41 -173.92 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 -179.241 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.632 ' HG1' ' H ' ' B' ' 7' ' ' ALA . 3.5 t -67.46 172.34 5.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.131 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.632 ' H ' ' HG1' ' B' ' 6' ' ' THR . . . -148.74 161.69 41.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.387 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -54.65 -41.4 70.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.567 ' O ' ' OE2' ' A' ' 19' ' ' GLU . 28.6 mttt -149.69 -75.09 0.16 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.63 0.252 . . . . 0.0 110.968 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.613 ' HG ' ' H ' ' B' ' 12' ' ' GLY . 33.0 t -154.67 149.84 27.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 0.0 111.14 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.426 ' N ' ' HG ' ' B' ' 10' ' ' SER . 28.5 p -114.56 12.93 17.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.07 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.613 ' H ' ' HG ' ' B' ' 10' ' ' SER . . . -58.34 -41.56 95.14 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.15 13.3 82.18 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -56.34 -34.79 66.93 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.693 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.543 179.867 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.459 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.413 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.553 ' H2 ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.492 2.379 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.553 ' HD2' ' H2 ' ' A' ' 1' ' ' GLY . 43.2 Cg_exo -53.85 156.0 13.2 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.762 2.308 . . . . 0.0 111.764 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 3' ' ' LEU . 3.5 mm? -56.25 110.02 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.894 0.378 . . . . 0.0 110.158 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.65 174.6 50.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.935 -0.866 . . . . 50.0 110.935 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 p -88.26 4.84 44.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 50.0 110.543 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -62.77 138.74 58.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 50.0 110.896 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.719 ' HB ' ' HH ' ' A' ' 10' ' ' TYR . 46.6 p -130.53 176.34 8.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.966 -0.561 . . . . 50.0 110.772 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.571 ' O ' ' CE1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -116.86 -176.11 2.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.747 -0.661 . . . . 50.0 110.641 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.9 mt -62.31 159.09 15.81 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.166 0.507 . . . . 50.0 111.787 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.719 ' HH ' ' HB ' ' A' ' 7' ' ' THR . 17.4 m-85 -122.54 -91.57 0.55 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.845 -0.616 . . . . 25.0 111.418 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.977 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 7.1 t -37.17 137.0 0.39 Allowed 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 122.02 0.914 . . . . 16.66 112.325 -178.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.846 HG21 ' CD2' ' A' ' 33' ' ' TYR . 23.6 pt -52.1 -6.53 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.754 -1.566 . . . . 50.0 107.997 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -87.18 -22.33 25.36 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 113.552 -1.658 . . . . 16.66 110.826 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.586 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 31.4 mttm 82.93 78.99 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.289 0.478 . . . . 25.0 112.289 179.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.929 ' HG1' ' CE1' ' A' ' 34' ' ' HIS . 0.5 OUTLIER -148.77 158.08 40.07 Favored Pre-proline 0 N--CA 1.47 0.561 0 CA-C-O 120.799 0.333 . . . . 50.0 111.7 179.698 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.39 179.12 6.79 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 123.232 2.621 . . . . 50.0 111.991 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.658 ' CZ ' ' CM1' ' B' ' 4' ' ' M3L . 0.8 OUTLIER -82.52 131.6 35.21 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 121.466 0.65 . . . . 50.0 110.835 -179.551 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.794 ' C ' ' H ' ' A' ' 20' ' ' SER . 95.7 m-20 -140.38 118.91 12.25 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 114.844 -1.071 . . . . 50.0 109.055 178.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -58.88 8.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.366 0.603 . . . . 50.0 109.528 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.794 ' H ' ' C ' ' A' ' 18' ' ' ASP . 13.7 m -103.24 -10.41 18.77 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.77 -1.196 . . . . 50.0 107.77 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.642 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -115.47 129.48 56.57 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 113.487 -1.688 . . . . 50.0 106.447 179.047 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -108.76 147.22 32.34 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 119.506 -0.878 . . . . 16.66 108.958 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.89 ' CG ' HM23 ' B' ' 4' ' ' M3L . 43.7 m-85 -122.9 173.08 8.01 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.916 2.191 . . . . 50.0 116.916 -174.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 1.028 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -145.1 128.52 11.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-N 108.899 -3.773 . . . . 16.66 106.907 176.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.447 ' H ' ' HA ' ' B' ' 3' ' ' THR . . . -91.29 121.19 6.22 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 121.242 -0.504 . . . . 16.66 114.277 -176.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.461 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.7 OUTLIER -47.67 107.85 0.14 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.344 -0.984 . . . . 16.66 108.344 176.615 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.63 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 88.1 m-20 -65.08 -33.63 76.49 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.381 0.61 . . . . 25.0 109.708 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.73 -24.37 15.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.174 -0.921 . . . . 50.0 110.394 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.288 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -96.27 -29.66 13.88 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 120.132 -0.627 . . . . 16.66 110.391 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.762 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER 82.02 16.12 0.45 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.173 1.175 . . . . 16.66 114.173 178.133 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.509 ' OD1' ' CE2' ' A' ' 33' ' ' TYR . 4.3 p30 -135.92 173.04 12.15 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 119.613 1.097 . . . . 50.0 112.606 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.872 ' CG ' HM22 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -114.77 152.11 32.64 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 117.31 2.337 . . . . 16.66 117.31 -174.332 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.846 ' CD2' HG21 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -141.01 161.42 37.89 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-N 114.169 -1.378 . . . . 50.0 109.005 172.865 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.929 ' CE1' ' HG1' ' A' ' 15' ' ' THR . 0.1 OUTLIER -76.66 133.19 39.65 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 106.845 -1.539 . . . . 16.66 106.845 177.46 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.797 ' HA3' HG23 ' A' ' 40' ' ' ILE . . . -41.14 -38.63 1.87 Allowed Glycine 0 C--N 1.304 -1.196 0 C-N-CA 119.724 -1.227 . . . . 16.66 110.373 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.584 ' HD2' ' H ' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -67.62 -34.28 76.66 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 108.798 -0.816 . . . . 50.0 108.798 177.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 1.7 t -69.09 -49.7 54.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.381 -1.282 . . . . 16.66 110.712 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.593 HG11 ' HA2' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -81.92 -22.39 9.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 114.25 -1.341 . . . . 16.66 109.85 -179.796 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.584 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 86.11 44.64 5.9 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 109.693 -1.363 . . . . 16.66 109.693 -178.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.797 HG23 ' HA3' ' A' ' 35' ' ' GLY . 2.0 tp -106.6 164.12 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-O 121.2 0.524 . . . . 16.66 111.588 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.769 ' O ' HG21 ' A' ' 40' ' ' ILE . 78.8 mt -63.52 166.78 6.27 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.126 -0.943 . . . . 50.0 108.937 177.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.457 ' HA ' HE21 ' A' ' 42' ' ' GLN . 0.5 OUTLIER -77.74 -54.93 5.77 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 120.03 -0.668 . . . . 25.0 111.114 -178.56 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.457 ' C ' ' N ' ' A' ' 45' ' ' ALA . 50.7 m -70.17 -16.66 63.11 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.347 -0.842 . . . . 50.0 110.127 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.888 ' HA ' HD12 ' A' ' 47' ' ' LEU . 2.8 mt-10 -45.62 -18.3 0.04 OUTLIER 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.432 -0.507 . . . . 50.0 110.994 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.921 ' O ' HG21 ' B' ' 3' ' ' THR . . . -56.0 -58.65 7.01 Favored 'General case' 0 C--N 1.309 -1.175 0 C-N-CA 120.169 -0.612 . . . . 25.0 110.955 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -89.48 -42.64 11.35 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.776 1.769 . . . . 50.0 115.776 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.888 HD12 ' HA ' ' A' ' 44' ' ' GLU . 3.3 pp -55.08 -28.45 52.5 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.661 1.356 . . . . 16.66 114.661 -175.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.91 ' CD1' ' HG1' ' B' ' 3' ' ' THR . 1.7 pp -85.3 172.52 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-O 121.726 0.774 . . . . 25.0 110.07 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.596 ' C ' ' HB3' ' B' ' 1' ' ' ALA . 20.4 t70 -159.0 6.92 0.11 Allowed 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.391 -1.277 . . . . 50.0 109.373 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -147.97 34.28 0.83 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.157 -1.383 . . . . 50.0 107.387 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.68 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 5.7 t80 -66.0 147.08 53.91 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 115.226 -0.897 . . . . 16.66 109.787 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.68 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 21.6 t -134.79 155.92 39.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-N 114.569 -1.196 . . . . 50.0 109.576 178.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.461 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 5.9 p -76.9 157.56 81.51 Favored Pre-proline 0 N--CA 1.415 -2.216 0 CA-C-O 121.454 0.645 . . . . 16.66 110.046 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.419 ' HA ' HE21 ' A' ' 57' ' ' GLN . 27.4 Cg_endo -79.35 -27.78 4.08 Favored 'Trans proline' 0 C--N 1.276 -3.237 0 C-N-CA 121.921 1.747 . . . . 16.66 110.738 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.423 ' O ' ' OG ' ' A' ' 58' ' ' SER . 67.7 tp60 -72.18 -32.58 66.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.107 -1.071 . . . . 50.0 108.107 177.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 1.138 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 3.5 m -65.07 -40.48 94.73 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 114.777 -1.101 . . . . 16.66 110.573 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.419 HE21 ' HA ' ' A' ' 54' ' ' PRO . 66.3 mt-30 -53.78 -26.53 24.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.737 -0.665 . . . . 50.0 110.937 -178.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 55' ' ' GLN . 83.7 p -64.28 -27.2 68.88 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.622 -0.431 . . . . 50.0 110.47 179.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.6 m -96.09 -68.95 0.77 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.3 -0.409 . . . . 50.0 111.468 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 58.47 -113.45 0.7 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.429 -0.351 . . . . 50.0 110.705 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.572 ' O ' ' HB1' ' A' ' 62' ' ' ALA . 93.9 m-20 55.19 92.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 50.0 110.58 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.572 ' HB1' ' O ' ' A' ' 61' ' ' ASP . . . . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.988 -1.006 . . . . 50.0 110.6 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.596 ' HB3' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.63 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 85.0 mtm-85 -100.71 34.38 2.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.921 HG21 ' O ' ' A' ' 45' ' ' ALA . 24.5 m -62.95 138.41 58.55 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' M3L . . . . . 0.89 HM23 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.535 0.683 . . . . 0.0 110.367 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.869 ' H ' HE21 ' B' ' 5' ' ' GLN . 0.0 OUTLIER -60.22 -139.02 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.118 -179.679 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.405 ' H ' ' HB2' ' B' ' 5' ' ' GLN . 9.0 t -128.3 158.21 38.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.299 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' B' ' 8' ' ' ARG . . . -157.06 162.04 39.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.999 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' B' ' 7' ' ' ALA . 13.8 tpt180 58.92 117.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -95.0 121.83 37.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.737 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.57 ' O ' ' N ' ' B' ' 12' ' ' GLY . 83.2 p -69.32 -26.89 64.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.631 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 84.9 m 44.28 -86.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' B' ' 10' ' ' SER . . . 85.32 -162.65 36.75 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.15 122.76 28.81 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 18.3 ptmt -62.86 -36.57 83.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.802 0.334 . . . . 0.0 110.831 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' B' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.533 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.455 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.467 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.33 141.52 82.01 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.771 2.314 . . . . 0.0 112.156 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -101.51 143.65 31.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.791 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 5' ' ' SER . . . -151.55 -178.13 26.0 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.851 -0.9 . . . . 50.0 110.851 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.463 ' O ' ' O ' ' A' ' 4' ' ' GLY . 3.8 t 54.67 160.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.881 0.372 . . . . 50.0 110.507 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 55.35 80.47 0.13 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.377 -0.374 . . . . 50.0 110.328 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -81.07 169.18 17.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.455 0.645 . . . . 50.0 111.662 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -175.26 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.86 -1.064 . . . . 50.0 112.325 -179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.961 HD13 ' H ' ' A' ' 9' ' ' LEU . 3.6 mp -62.06 -174.71 0.06 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 114.64 -1.164 . . . . 50.0 111.802 -178.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 14.8 m-85 -62.96 -111.04 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.825 0.822 . . . . 25.0 111.686 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 1.141 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -34.37 128.85 0.41 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.323 -1.308 . . . . 16.66 112.498 -178.665 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.793 HG21 ' CD2' ' A' ' 33' ' ' TYR . 27.6 pt -50.14 -6.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 113.121 -1.854 . . . . 50.0 109.201 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.035 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -87.8 -3.72 58.93 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.668 -1.151 . . . . 16.66 110.79 -179.853 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 43.1 mttp 69.41 79.22 0.2 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.702 HG22 ' HE2' ' A' ' 34' ' ' HIS . 0.3 OUTLIER -160.67 143.42 9.67 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 120.79 -0.364 . . . . 50.0 111.222 179.03 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.49 -170.05 0.54 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.648 2.232 . . . . 50.0 111.051 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.765 ' CZ ' HM32 ' B' ' 4' ' ' M3L . 0.8 OUTLIER -82.79 129.6 35.01 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.598 0.713 . . . . 50.0 111.195 -179.175 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.795 ' C ' ' H ' ' A' ' 20' ' ' SER . 80.9 m-20 -140.47 115.14 9.51 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.485 -1.234 . . . . 50.0 108.939 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -56.6 6.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.311 0.577 . . . . 50.0 109.683 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.795 ' H ' ' C ' ' A' ' 18' ' ' ASP . 55.9 m -100.63 -5.64 26.37 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.517 -1.29 . . . . 50.0 107.517 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.715 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 1.4 tptp -123.99 130.49 52.66 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 113.13 -1.85 . . . . 50.0 106.858 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 46.6 p90 -112.12 132.05 55.09 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 122.051 0.929 . . . . 16.66 111.05 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.649 ' CG ' ' CM1' ' B' ' 4' ' ' M3L . 26.1 m-85 -108.05 174.87 5.69 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 116.76 2.134 . . . . 50.0 116.76 -175.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.986 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -148.02 137.07 15.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 CA-C-N 108.894 -3.775 . . . . 16.66 105.972 177.634 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.09 124.27 8.19 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 120.252 -0.975 . . . . 16.66 114.889 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.266 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -47.86 122.18 4.78 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.65 0.78 . . . . 16.66 109.433 176.753 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.546 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 76.1 m-20 -58.17 -38.55 76.88 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.007 -0.677 . . . . 25.0 111.078 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.554 ' HD3' ' H ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -112.51 -30.08 7.26 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 120.977 -0.289 . . . . 50.0 110.611 179.523 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.266 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -71.14 -21.85 62.14 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 108.38 -0.97 . . . . 16.66 108.38 179.002 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.694 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 65.26 16.12 10.37 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.671 1.36 . . . . 16.66 114.671 177.228 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -135.01 173.28 11.9 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 114.299 1.222 . . . . 50.0 114.299 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.886 ' CD1' HM23 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -108.11 145.88 33.45 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 117.621 2.452 . . . . 16.66 117.621 -173.47 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.793 ' CD2' HG21 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -138.55 155.23 48.56 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.129 -1.851 . . . . 50.0 108.599 172.676 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.845 ' ND1' ' SG ' ' A' ' 37' ' ' CYS . 1.4 m80 -69.46 141.44 54.0 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 105.891 -1.892 . . . . 16.66 105.891 177.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.484 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -42.91 -45.48 5.92 Favored Glycine 0 C--N 1.308 -0.992 0 C-N-CA 119.61 -1.281 . . . . 16.66 111.417 -178.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.506 ' HG3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -81.25 -19.92 42.08 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.317 -0.623 . . . . 50.0 109.317 178.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 1.141 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER -51.84 -25.07 7.05 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.702 -0.851 . . . . 16.66 108.702 179.51 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.27 11.07 4.36 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 CA-C-N 115.206 -0.907 . . . . 16.66 110.829 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.36 47.06 30.65 Favored Glycine 0 N--CA 1.465 0.574 0 C-N-CA 121.182 -0.533 . . . . 16.66 112.768 178.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.598 HG12 ' HE2' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -111.08 165.8 6.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 121.159 -0.216 . . . . 16.66 110.682 -179.471 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.506 ' N ' ' OE2' ' A' ' 44' ' ' GLU . 9.1 mp -60.34 165.45 3.58 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.407 0.623 . . . . 50.0 110.046 178.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.58 -56.99 4.0 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.085 -0.961 . . . . 25.0 110.861 -178.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.56 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 15.7 t -70.47 -16.0 62.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.58 -0.736 . . . . 50.0 109.212 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.789 ' HA ' HD12 ' A' ' 47' ' ' LEU . 2.7 tt0 -43.37 -18.76 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.3 -0.864 . . . . 50.0 111.408 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.829 ' O ' HG21 ' B' ' 3' ' ' THR . . . -68.51 -50.86 48.94 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 120.417 -0.513 . . . . 25.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -86.61 -43.07 12.94 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.154 1.168 . . . . 50.0 114.154 -178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 1.105 HD13 ' N ' ' A' ' 48' ' ' ILE . 2.1 pp -55.28 -25.1 31.82 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.204 0.446 . . . . 16.66 112.204 -177.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 1.105 ' N ' HD13 ' A' ' 47' ' ' LEU . 2.3 pp -84.92 172.13 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 120.247 -0.581 . . . . 25.0 109.438 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.676 ' C ' ' HB3' ' B' ' 1' ' ' ALA . 26.6 t70 -156.72 12.72 0.26 Allowed 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.101 -0.954 . . . . 50.0 109.453 -178.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -164.81 43.95 0.09 Allowed 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 106.151 -1.796 . . . . 50.0 106.151 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.811 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 8.6 t80 -65.62 148.29 51.99 Favored 'General case' 0 CA--C 1.498 -1.056 0 CA-C-N 114.818 -1.083 . . . . 16.66 110.55 -178.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.811 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 38.2 t -131.2 158.68 43.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-N 114.103 -1.408 . . . . 50.0 110.648 179.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.135 ' SG ' ' CB ' ' A' ' 56' ' ' CYS . 3.0 p -78.67 161.02 70.87 Favored Pre-proline 0 N--CA 1.415 -2.183 0 N-CA-C 109.15 -0.685 . . . . 16.66 109.15 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.483 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 38.4 Cg_endo -77.11 -37.21 1.13 Allowed 'Trans proline' 0 C--N 1.273 -3.403 0 C-N-CA 121.427 1.418 . . . . 16.66 111.508 -178.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -69.07 -29.77 67.96 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.007 -1.109 . . . . 50.0 108.007 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 62.3 m -60.04 -48.77 80.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.188 -1.369 . . . . 16.66 111.186 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.5 ' O ' ' N ' ' A' ' 61' ' ' ASP . 45.8 tt0 -54.01 -38.02 64.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.522 -0.763 . . . . 50.0 111.448 -178.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.485 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 48.3 m -56.38 -33.06 65.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 50.0 110.695 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.4 m -76.1 -64.07 1.18 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.143 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -66.66 -36.41 82.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.465 -0.334 . . . . 50.0 111.041 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 57' ' ' GLN . 93.4 m-20 55.44 45.92 24.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 50.0 110.496 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.103 -0.951 . . . . 50.0 110.458 179.879 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.676 ' HB3' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.546 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 35.8 mtm180 -78.33 52.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.31 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.829 HG21 ' O ' ' A' ' 45' ' ' ALA . 18.3 m -71.84 130.94 42.27 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.151 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' M3L . . . . . 0.886 HM23 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.465 ' HG3' HG22 ' B' ' 3' ' ' THR . 22.4 mt-30 -85.13 23.99 1.17 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.586 ' HA ' ' HH ' ' A' ' 17' ' ' TYR . 1.5 p 42.66 -161.16 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.699 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' B' ' 6' ' ' THR . . . 34.32 98.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' B' ' 7' ' ' ALA . 89.7 mtt180 55.37 160.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.986 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . 0.405 ' HG3' ' HZ2' ' B' ' 9' ' ' LYS . 34.4 mtmm -89.67 158.84 17.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.541 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.445 ' HG ' ' H ' ' B' ' 11' ' ' THR . 31.1 t -61.65 157.51 17.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.468 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.445 ' H ' ' HG ' ' B' ' 10' ' ' SER . 22.2 m -73.59 139.48 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.786 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.69 131.1 2.13 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.19 -12.6 58.34 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 22.3 mttt 65.52 42.21 3.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.792 0.33 . . . . 0.0 110.347 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.613 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.413 'ZN ' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.437 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -53.68 147.0 41.76 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.704 2.269 . . . . 0.0 112.083 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.462 ' H ' HD21 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -84.32 133.63 34.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.258 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.52 -177.3 51.19 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.96 -0.856 . . . . 50.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' A' ' 7' ' ' THR . 91.0 p -138.11 159.8 41.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.753 0.311 . . . . 50.0 110.48 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -56.08 -36.89 68.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 50.0 110.68 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.418 ' O ' ' OG ' ' A' ' 5' ' ' SER . 52.5 m -122.19 139.84 53.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.253 -0.43 . . . . 50.0 110.7 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.766 ' HD3' ' HH ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -134.72 -176.43 4.23 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.144 -0.48 . . . . 50.0 111.154 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.606 ' HG ' ' C ' ' A' ' 8' ' ' LYS . 9.2 mt -144.42 167.97 21.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.923 -0.58 . . . . 50.0 111.223 -178.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.766 ' HH ' ' HD3' ' A' ' 8' ' ' LYS . 19.8 m-85 -120.64 -94.41 0.5 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.954 -0.566 . . . . 25.0 111.371 -178.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.949 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 12.4 t -35.94 137.66 0.22 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.92 0.867 . . . . 16.66 112.396 -178.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.67 HG21 ' CD1' ' A' ' 33' ' ' TYR . 14.2 pt -51.96 -7.17 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 113.834 -1.53 . . . . 50.0 107.609 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -87.43 -20.1 27.11 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 113.187 -1.824 . . . . 16.66 110.818 -179.504 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 61.9 mttp 76.97 79.52 0.08 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.592 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 39.0 p -148.26 148.73 30.03 Favored Pre-proline 0 N--CA 1.468 0.454 0 CA-C-O 120.755 0.312 . . . . 50.0 111.459 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.27 170.08 19.16 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 123.049 2.499 . . . . 50.0 111.773 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.725 ' CZ ' HM32 ' B' ' 4' ' ' M3L . 1.0 OUTLIER -75.01 130.52 39.49 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 121.562 0.696 . . . . 50.0 111.185 -179.097 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.701 ' C ' ' H ' ' A' ' 20' ' ' SER . 99.5 m-20 -140.96 129.17 22.21 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.622 -1.172 . . . . 50.0 109.116 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.484 ' H ' ' CD ' ' A' ' 19' ' ' GLU . 23.1 mp0 -66.07 8.75 0.18 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.934 -0.765 . . . . 50.0 108.934 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.701 ' H ' ' C ' ' A' ' 18' ' ' ASP . 38.5 m -100.7 -20.07 15.77 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.45 -1.315 . . . . 50.0 107.45 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.79 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -105.51 129.77 53.72 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 106.367 -1.716 . . . . 50.0 106.367 178.305 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.473 ' HD2' ' HB3' ' A' ' 45' ' ' ALA . 51.3 p90 -106.25 149.59 26.74 Favored 'General case' 0 CA--C 1.496 -1.105 0 C-N-CA 119.34 -0.944 . . . . 16.66 109.291 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.627 ' CG ' ' CM1' ' B' ' 4' ' ' M3L . 87.8 m-85 -123.51 167.84 13.37 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 117.308 2.336 . . . . 50.0 117.308 -173.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.945 HD11 ' H ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.3 128.02 7.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 CA-C-N 109.264 -3.607 . . . . 16.66 106.557 176.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -92.01 126.05 8.34 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 120.743 -0.741 . . . . 16.66 114.12 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 1.446 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 2.0 t -48.35 108.43 0.17 Allowed 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.993 -1.114 . . . . 16.66 107.993 176.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.511 ' CB ' HG23 ' A' ' 52' ' ' VAL . 22.4 t70 -50.14 -38.16 37.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.434 -0.506 . . . . 25.0 110.499 -178.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.888 HH21 ' HG1' ' A' ' 59' ' ' THR . 0.1 OUTLIER -103.93 -37.03 7.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.04 -0.527 . . . . 50.0 110.574 179.495 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 1.341 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.32 -8.88 58.36 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.991 0.424 . . . . 16.66 110.858 -178.366 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.548 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 10.4 mm-40 48.95 29.83 2.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.756 -0.656 . . . . 16.66 112.544 178.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.63 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 19.9 p30 -134.74 169.15 17.78 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 119.59 -0.844 . . . . 50.0 111.207 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 1.03 ' CD1' HM23 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -120.69 151.19 39.83 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 116.825 2.158 . . . . 16.66 116.825 -173.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.678 ' OH ' ' HB2' ' A' ' 53' ' ' CYS . 0.1 OUTLIER -140.16 166.99 23.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.855 -1.52 . . . . 50.0 109.553 173.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.79 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -75.73 137.53 40.67 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 105.525 -2.028 . . . . 16.66 105.525 176.071 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.589 ' CA ' HG23 ' A' ' 40' ' ' ILE . . . -42.04 -40.61 3.37 Favored Glycine 0 C--N 1.304 -1.239 0 C-N-CA 119.454 -1.355 . . . . 16.66 112.166 -177.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.488 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -81.71 -21.87 37.73 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.208 -0.664 . . . . 50.0 109.208 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 4.6 t -52.31 -25.89 10.74 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 108.659 -0.867 . . . . 16.66 108.659 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.1 m -121.23 12.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 114.629 -1.168 . . . . 16.66 110.166 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 70.52 47.34 42.77 Favored Glycine 0 N--CA 1.462 0.408 0 CA-C-N 115.665 -0.698 . . . . 16.66 112.376 178.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.589 HG23 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -116.73 169.14 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.14 0.495 . . . . 16.66 111.691 -179.084 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.521 ' N ' HG21 ' A' ' 40' ' ' ILE . 18.5 mt -60.51 166.38 3.18 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.388 -0.824 . . . . 50.0 111.074 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.476 HE21 ' HB3' ' A' ' 42' ' ' GLN . 2.8 tt0 -78.52 -54.18 6.43 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.618 -1.174 . . . . 25.0 110.042 -179.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 45' ' ' ALA . 24.8 m -70.85 -16.52 62.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.755 -1.111 . . . . 50.0 109.86 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.867 ' O ' ' HB ' ' A' ' 48' ' ' ILE . 1.4 mm-40 -42.16 -17.0 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.872 -0.604 . . . . 50.0 110.698 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.89 ' O ' HG21 ' B' ' 3' ' ' THR . . . -82.53 -54.69 4.98 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.347 -0.388 . . . . 25.0 112.028 -179.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.615 ' C ' ' H ' ' A' ' 48' ' ' ILE . 55.3 mp0 -77.6 -51.48 10.58 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.659 0.985 . . . . 50.0 113.659 -177.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.817 HD12 ' HA ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -72.05 15.13 0.17 Allowed 'General case' 0 CA--C 1.494 -1.181 0 CA-C-O 121.054 0.454 . . . . 16.66 110.354 -179.352 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.958 ' CG2' ' HG1' ' B' ' 3' ' ' THR . 0.3 OUTLIER -112.08 149.8 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 CA-C-N 115.26 -0.882 . . . . 25.0 113.214 -176.061 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.811 ' H ' HD11 ' A' ' 48' ' ' ILE . 60.3 t0 -166.54 36.65 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.466 -1.243 . . . . 50.0 110.09 -178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.601 ' N ' ' HB3' ' B' ' 1' ' ' ALA . 23.1 pt-20 -168.96 11.11 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.995 -0.743 . . . . 50.0 108.995 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.659 ' HH ' ' HA ' ' A' ' 53' ' ' CYS . 5.8 t80 -68.97 147.46 51.58 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 115.535 -0.757 . . . . 16.66 111.005 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.604 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 39.3 t -134.07 159.9 42.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 114.79 -1.095 . . . . 50.0 108.811 177.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 1.446 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.5 p -78.64 155.07 78.64 Favored Pre-proline 0 N--CA 1.413 -2.29 0 CA-C-O 121.488 0.661 . . . . 16.66 109.672 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -76.13 -30.5 5.57 Favored 'Trans proline' 0 C--N 1.277 -3.224 0 C-N-CA 121.839 1.693 . . . . 16.66 111.202 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.669 ' NE2' HG23 ' A' ' 12' ' ' ILE . 52.2 mt-30 -69.26 -32.39 71.55 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.632 -1.247 . . . . 50.0 107.632 177.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 1.16 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 5.6 m -65.07 -40.8 95.22 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.205 -1.361 . . . . 16.66 110.32 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 96.1 mt-30 -55.66 -26.21 43.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.584 -0.734 . . . . 50.0 111.085 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.8 m -58.73 -33.16 69.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.351 -0.386 . . . . 50.0 110.67 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.888 ' HG1' HH21 ' A' ' 28' ' ' ARG . 0.2 OUTLIER -98.03 -64.77 1.01 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.019 0.377 . . . . 50.0 112.019 -179.188 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 62' ' ' ALA . 98.8 mt-10 59.21 16.31 4.82 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.735 0.303 . . . . 50.0 110.416 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 38.07 -88.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 50.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 118.033 -0.984 . . . . 50.0 110.6 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.658 ' H2 ' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.544 ' NH2' ' O ' ' A' ' 26' ' ' CYS . 10.6 ttp-105 -82.98 53.84 2.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.752 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.958 ' HG1' ' CG2' ' A' ' 48' ' ' ILE . 33.5 m -68.17 141.77 55.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.784 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' M3L . . . . . 1.03 HM23 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 N--CA 1.46 0.069 0 CA-C-O 121.045 0.45 . . . . 0.0 110.004 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 45' ' ' ALA . 0.6 OUTLIER -74.35 163.39 27.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.526 -179.407 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 15.8 p -71.34 160.75 32.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.57 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.05 176.24 5.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.762 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 61.61 100.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.701 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -75.88 138.36 41.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.101 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.763 ' O ' ' N ' ' B' ' 13' ' ' GLY . 19.4 t -55.39 -45.85 76.59 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.693 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.443 ' C ' ' O ' ' B' ' 10' ' ' SER . 64.6 m 33.5 -99.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.476 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' B' ' 14' ' ' LYS . . . -94.72 9.3 71.06 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' B' ' 10' ' ' SER . . . -64.14 57.93 0.07 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' B' ' 12' ' ' GLY . 19.1 tptm -56.02 -35.37 66.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.693 0.282 . . . . 0.0 110.326 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.486 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . 0.421 'ZN ' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' ' ZN' . . . . . 0.436 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.54 ' CD1' ' HD1' ' A' ' 32' ' ' TRP . 8.7 m-85 . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.99 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 43.1 t -36.39 134.21 0.46 Allowed 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.281 1.039 . . . . 16.66 113.045 -177.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.729 HG23 ' CD1' ' A' ' 33' ' ' TYR . 7.5 pt -59.91 -7.39 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 113.328 -1.76 . . . . 50.0 108.03 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.99 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -92.46 25.21 3.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 113.546 -1.661 . . . . 16.66 111.326 -178.734 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 13' ' ' CYS . 47.8 pttt 42.45 72.39 0.18 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -151.95 123.57 3.81 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 116.227 -0.442 . . . . 50.0 110.409 178.542 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 7.7 Cg_exo -69.55 177.18 5.69 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 122.288 1.992 . . . . 50.0 111.955 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.519 ' HB2' ' HE2' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -61.85 133.28 55.27 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.663 0.745 . . . . 50.0 111.231 -179.123 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.761 ' C ' ' H ' ' A' ' 20' ' ' SER . 77.5 m-20 -141.24 114.26 8.54 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 114.433 -1.258 . . . . 50.0 107.768 177.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.15 7.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.145 0.498 . . . . 50.0 110.246 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.761 ' H ' ' C ' ' A' ' 18' ' ' ASP . 2.6 t -105.82 -7.34 18.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.872 -1.159 . . . . 50.0 107.872 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.69 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 3.7 tptp -115.26 131.76 56.83 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 113.923 -1.489 . . . . 50.0 108.142 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 46.6 p90 -109.68 141.29 42.47 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.127 -0.694 . . . . 16.66 109.127 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 24.2 m-85 -116.8 175.74 5.44 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 116.532 2.049 . . . . 50.0 116.532 -175.096 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.0 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.98 128.86 6.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-N 109.161 -3.654 . . . . 16.66 106.464 177.564 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -88.46 126.29 8.06 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 120.955 -0.641 . . . . 16.66 114.201 -177.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 1.423 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.7 t -47.72 113.23 0.67 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.97 -1.492 . . . . 16.66 106.97 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.629 ' HB3' HG22 ' A' ' 52' ' ' VAL . 22.1 t70 -63.13 -35.43 80.25 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.647 0.737 . . . . 25.0 109.617 -178.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -102.51 -27.28 12.87 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 114.555 -1.202 . . . . 50.0 110.563 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.327 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -89.45 -28.12 19.92 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 119.751 -0.78 . . . . 16.66 110.397 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.792 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER 74.08 25.65 1.8 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.773 0.657 . . . . 16.66 112.773 178.898 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.617 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 25.6 p30 -133.58 169.71 16.6 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 121.749 -0.594 . . . . 50.0 111.353 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.54 ' HD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -118.09 149.22 41.37 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 116.59 2.07 . . . . 16.66 116.59 -174.377 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.729 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -140.46 165.18 28.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 113.936 -1.484 . . . . 50.0 108.606 173.58 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.69 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -71.68 143.37 49.72 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 106.501 -1.666 . . . . 16.66 106.501 176.4 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.31 -49.66 5.57 Favored Glycine 0 C--N 1.307 -1.052 0 C-N-CA 119.72 -1.229 . . . . 16.66 111.517 -178.274 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.497 ' C ' ' H ' ' A' ' 39' ' ' GLY . 3.1 ptt180 -76.41 -20.41 57.13 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.033 0.444 . . . . 50.0 109.912 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.943 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 4.5 t -50.95 -28.05 8.94 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.722 -0.844 . . . . 16.66 108.722 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.6 m -117.2 13.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 114.828 -1.078 . . . . 16.66 110.104 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.02 46.71 34.87 Favored Glycine 0 CA--C 1.52 0.4 0 CA-C-N 115.311 -0.859 . . . . 16.66 112.37 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.502 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -114.79 168.04 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.169 0.509 . . . . 16.66 111.303 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.491 ' N ' HG23 ' A' ' 40' ' ' ILE . 29.8 mt -62.01 166.01 5.03 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.344 -0.844 . . . . 50.0 110.934 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -79.29 -55.33 5.16 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.113 -0.949 . . . . 25.0 110.762 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 46' ' ' GLU . 47.2 t -66.18 -16.96 64.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.39 -0.823 . . . . 50.0 109.344 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 1.048 ' O ' ' HB ' ' A' ' 48' ' ' ILE . 1.1 mm-40 -44.2 -19.76 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.386 -0.824 . . . . 50.0 110.548 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.905 ' O ' HG21 ' B' ' 3' ' ' THR . . . -74.67 -38.93 62.3 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 120.489 -0.484 . . . . 25.0 110.23 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.565 ' C ' ' H ' ' A' ' 48' ' ' ILE . 85.2 tt0 -87.54 -53.06 5.0 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.99 0.737 . . . . 50.0 112.99 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.74 HD11 ' HA ' ' A' ' 44' ' ' GLU . 4.3 pp -66.74 12.49 0.07 Allowed 'General case' 0 CA--C 1.494 -1.205 0 CA-C-N 115.746 -0.661 . . . . 16.66 111.028 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.048 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -117.26 150.37 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 119.426 -0.91 . . . . 25.0 113.148 -176.425 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.757 ' H ' HD13 ' A' ' 48' ' ' ILE . 61.3 t0 -169.19 27.78 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.64 -1.164 . . . . 50.0 110.238 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.509 ' H ' HD12 ' A' ' 48' ' ' ILE . 3.1 mt-10 -161.5 14.76 0.1 Allowed 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.137 -1.06 . . . . 50.0 108.137 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 51' ' ' TYR . 2.3 t80 -68.07 147.3 52.55 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 115.135 -0.939 . . . . 16.66 110.7 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.629 HG22 ' HB3' ' A' ' 27' ' ' ASP . 14.3 t -131.65 159.93 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.96 0 CA-C-N 114.61 -1.177 . . . . 50.0 108.601 177.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.423 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 8.2 p -80.42 155.64 73.97 Favored Pre-proline 0 N--CA 1.415 -2.213 0 CA-C-O 121.431 0.634 . . . . 16.66 110.117 -178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 24.6 Cg_endo -79.1 -23.12 7.99 Favored 'Trans proline' 0 C--N 1.273 -3.402 0 C-N-CA 121.97 1.78 . . . . 16.66 110.874 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -74.19 -38.99 63.47 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.616 -0.883 . . . . 50.0 108.616 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-N 115.292 -0.867 . . . . 16.66 110.757 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 93.1 mtm-85 . . . . . 0 CA--C 1.519 -0.232 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.905 HG21 ' O ' ' A' ' 45' ' ' ALA . 24.5 m . . . . . 0 N--CA 1.452 -0.357 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.351 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.505 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 2.2 m-85 . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 1.4 t -33.14 126.52 0.34 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 114.035 -1.438 . . . . 16.66 113.578 -177.202 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.694 HG23 ' CD1' ' A' ' 33' ' ' TYR . 27.1 pt -52.79 -6.91 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 CA-C-N 112.234 -2.257 . . . . 50.0 109.106 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.009 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER -90.42 7.92 36.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.199 -1.364 . . . . 16.66 109.27 179.427 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' CYS . 7.9 ptmm? 50.68 70.97 0.46 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 114.566 -1.197 . . . . 25.0 114.219 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.543 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 1.5 p -147.68 122.12 5.03 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 116.703 -0.226 . . . . 50.0 110.688 177.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -48.75 -174.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 123.272 2.648 . . . . 50.0 112.732 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.533 ' CE1' ' CE1' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -77.58 130.77 37.33 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 121.522 0.677 . . . . 50.0 110.868 -179.478 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.751 ' C ' ' H ' ' A' ' 20' ' ' SER . 85.4 m-20 -141.04 116.95 10.44 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.757 -1.11 . . . . 50.0 108.384 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -57.7 8.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.447 -0.575 . . . . 50.0 109.447 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.751 ' H ' ' C ' ' A' ' 18' ' ' ASP . 49.6 m -102.95 -3.64 25.83 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.211 -1.403 . . . . 50.0 107.211 178.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.913 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 5.9 tptt -127.15 131.03 50.83 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 113.326 -1.761 . . . . 50.0 107.299 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 46.7 p90 -110.66 136.89 49.06 Favored 'General case' 0 CA--C 1.496 -1.101 0 CA-C-O 121.937 0.875 . . . . 16.66 110.928 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 43.2 m-85 -111.31 174.47 5.85 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 116.462 2.023 . . . . 50.0 116.462 -175.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.018 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.19 134.51 16.06 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 CA-C-N 109.351 -3.568 . . . . 16.66 106.176 176.899 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -97.46 122.62 7.52 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 120.803 -0.713 . . . . 16.66 114.13 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 1.316 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 4.7 t -51.61 125.31 14.38 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.853 -0.795 . . . . 16.66 108.853 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.543 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 60.6 t0 -60.62 -37.75 82.46 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.047 -0.661 . . . . 25.0 110.256 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -103.04 -29.89 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.947 -0.57 . . . . 50.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.316 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -88.2 0.12 56.45 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.102 0.477 . . . . 16.66 110.295 -178.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 4.8 pt20 30.68 34.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.255 -0.884 . . . . 16.66 112.218 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 29' ' ' CYS . 21.2 p30 -133.49 170.59 15.28 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 120.511 -0.476 . . . . 50.0 110.989 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.505 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -123.82 151.18 43.66 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 116.622 2.082 . . . . 16.66 116.622 -173.53 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.716 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -139.12 158.52 44.04 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 113.589 -1.641 . . . . 50.0 108.909 173.488 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.913 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -71.5 140.37 49.93 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 106.121 -1.807 . . . . 16.66 106.121 176.895 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.544 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -43.14 -46.11 6.38 Favored Glycine 0 C--N 1.308 -1.005 0 C-N-CA 119.607 -1.282 . . . . 16.66 111.476 -178.167 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.419 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -79.88 -20.31 46.17 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.597 -0.519 . . . . 50.0 109.597 179.192 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER -51.78 -27.01 10.87 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.893 -0.723 . . . . 16.66 109.102 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.4 m -123.39 10.49 5.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.212 -0.904 . . . . 16.66 110.653 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.36 45.81 36.54 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 115.431 -0.804 . . . . 16.66 112.562 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.544 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -109.7 167.59 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.643 -0.423 . . . . 16.66 110.942 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.0 mp -60.2 164.62 4.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 50.0 110.232 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -78.28 -55.54 5.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.591 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.637 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 74.9 m -70.19 -15.95 63.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.384 -0.825 . . . . 50.0 109.245 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.752 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -41.14 -20.1 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.159 -0.928 . . . . 50.0 111.049 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.734 ' O ' HG21 ' B' ' 3' ' ' THR . . . -74.79 -47.36 31.23 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 120.55 -0.46 . . . . 25.0 111.147 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -86.86 -44.51 11.64 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.89 1.07 . . . . 50.0 113.89 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.028 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -55.35 -24.48 29.66 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.036 0.384 . . . . 16.66 112.036 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.028 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -85.87 171.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.589 0.709 . . . . 25.0 109.984 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 49' ' ' ASP . 56.9 t0 -161.35 12.76 0.09 Allowed 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.642 -1.163 . . . . 50.0 109.115 -178.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -158.28 41.12 0.26 Allowed 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 105.804 -1.924 . . . . 50.0 105.804 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.716 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 63.4 t80 -66.24 146.55 54.48 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 114.418 -1.265 . . . . 16.66 112.063 -177.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.716 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 20.0 t -137.18 156.8 34.45 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 CA-C-N 113.124 -1.853 . . . . 50.0 109.035 178.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.234 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 1.6 p -79.25 162.47 63.87 Favored Pre-proline 0 N--CA 1.417 -2.109 0 N-CA-C 108.539 -0.911 . . . . 16.66 108.539 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 17.3 Cg_endo -82.73 -28.84 1.55 Allowed 'Trans proline' 0 C--N 1.277 -3.186 0 C-N-CA 121.672 1.581 . . . . 16.66 111.399 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -76.08 -28.33 57.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.558 -0.746 . . . . 50.0 109.03 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.967 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 15.5 m . . . . . 0 C--N 1.333 -0.124 0 CA-C-N 115.573 -0.74 . . . . 16.66 109.894 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.543 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 23.3 mtm180 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.769 0.318 . . . . 0.0 110.79 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.734 HG21 ' O ' ' A' ' 45' ' ' ALA . 17.2 m . . . . . 0 C--N 1.327 -0.374 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.543 ' CD1' ' HD1' ' A' ' 32' ' ' TRP . 19.2 m-85 . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 121.229 0.538 . . . . 25.0 111.221 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.958 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 8.1 t -36.24 134.92 0.39 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.974 0.892 . . . . 16.66 111.964 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.681 HG23 ' CD1' ' A' ' 33' ' ' TYR . 16.6 pt -51.1 -7.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 113.852 -1.522 . . . . 50.0 108.156 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.958 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -85.72 -25.12 26.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 113.554 -1.657 . . . . 16.66 110.852 -179.572 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 21.1 mttp 83.31 78.89 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.212 0.449 . . . . 25.0 112.212 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.549 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 43.2 p -148.67 148.54 28.36 Favored Pre-proline 0 N--CA 1.468 0.471 0 C-N-CA 121.126 -0.23 . . . . 50.0 111.479 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -70.18 168.63 21.57 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.965 2.444 . . . . 50.0 111.64 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.495 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 1.1 t80 -72.21 118.82 15.56 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 120.372 -0.531 . . . . 50.0 110.908 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.724 ' C ' ' H ' ' A' ' 20' ' ' SER . 0.5 OUTLIER -121.36 120.61 35.54 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.873 -0.788 . . . . 50.0 108.873 178.025 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.6 5.52 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.897 -0.779 . . . . 50.0 108.897 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.724 ' H ' ' C ' ' A' ' 18' ' ' ASP . 37.2 m -103.19 -14.83 16.21 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 114.83 -1.077 . . . . 50.0 108.183 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.673 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -106.29 130.42 54.14 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 106.805 -1.554 . . . . 50.0 106.805 179.118 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 36.9 p90 -107.97 148.9 29.05 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 108.566 -0.901 . . . . 16.66 108.566 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 14.8 m-85 -126.99 175.49 8.04 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 124.385 2.04 . . . . 50.0 115.605 -175.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.024 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -143.69 128.95 15.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 CA-C-N 109.124 -3.671 . . . . 16.66 105.982 177.524 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.503 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -94.02 123.64 7.55 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.313 -0.946 . . . . 16.66 114.134 -177.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 1.473 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.6 OUTLIER -48.42 108.89 0.19 Allowed 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.283 -1.377 . . . . 16.66 107.283 176.235 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.518 ' HA ' HH12 ' B' ' 2' ' ' ARG . 90.9 m-20 -63.48 -36.43 83.74 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-O 122.18 0.991 . . . . 25.0 108.458 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 -94.34 -37.82 11.29 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 113.594 -1.639 . . . . 50.0 111.014 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.327 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -84.04 -28.33 27.71 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.882 -0.727 . . . . 16.66 110.988 -178.87 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.808 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 79.04 21.48 0.67 Allowed 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.79 1.033 . . . . 16.66 113.79 178.163 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.619 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 26.9 p30 -135.01 170.03 16.53 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 119.23 0.923 . . . . 50.0 112.419 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.543 ' HD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -116.15 147.6 41.21 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 116.145 1.906 . . . . 16.66 116.145 -175.154 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.681 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -139.05 162.14 35.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.017 -0.992 . . . . 50.0 109.653 173.796 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.673 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -70.89 139.0 50.63 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 106.143 -1.799 . . . . 16.66 106.143 176.715 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.2 -47.76 5.48 Favored Glycine 0 C--N 1.306 -1.099 0 C-N-CA 119.627 -1.273 . . . . 16.66 111.627 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.409 ' HG3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -79.12 -18.01 54.02 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.123 -0.631 . . . . 50.0 109.727 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.958 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 5.6 t -50.43 -30.67 13.09 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.38 -0.928 . . . . 16.66 108.668 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.7 m -116.66 15.02 7.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 114.92 -1.037 . . . . 16.66 110.881 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.22 45.82 59.97 Favored Glycine 0 N--CA 1.461 0.304 0 CA-C-N 115.795 -0.639 . . . . 16.66 111.965 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.502 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -112.32 167.69 5.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.084 0.468 . . . . 16.66 110.967 -179.403 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.493 ' N ' HG23 ' A' ' 40' ' ' ILE . 35.1 mt -62.57 165.81 5.94 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.622 -0.717 . . . . 50.0 110.49 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -79.63 -55.23 5.17 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.468 -0.787 . . . . 25.0 110.358 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.584 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 75.7 m -67.33 -16.29 64.17 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.292 -0.867 . . . . 50.0 109.094 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.776 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -42.46 -20.89 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 115.497 -0.774 . . . . 50.0 110.409 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.904 ' O ' HG21 ' B' ' 3' ' ' THR . . . -70.5 -46.52 63.54 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.923 -0.58 . . . . 25.0 110.871 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HG2' ' H ' ' A' ' 47' ' ' LEU . 13.0 pm0 -89.85 -42.61 11.14 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.604 1.335 . . . . 50.0 114.604 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.069 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -56.4 -27.08 55.31 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.445 0.906 . . . . 16.66 113.445 -176.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.069 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.1 pp -85.47 172.27 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.71 0.767 . . . . 25.0 110.418 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 49' ' ' ASP . 54.7 t0 -160.97 17.73 0.12 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.326 -1.307 . . . . 50.0 108.969 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -162.28 35.29 0.12 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 114.034 -1.439 . . . . 50.0 107.236 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.637 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 17.2 t80 -66.22 145.71 55.45 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 115.061 -0.972 . . . . 16.66 111.201 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.637 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 16.1 t -135.6 157.57 39.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 CA-C-N 113.717 -1.583 . . . . 50.0 108.565 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.473 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.8 p -79.87 158.88 72.29 Favored Pre-proline 0 N--CA 1.411 -2.391 0 CA-C-O 121.321 0.582 . . . . 16.66 109.57 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.474 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 18.9 Cg_endo -81.66 -25.33 3.72 Favored 'Trans proline' 0 C--N 1.275 -3.313 0 C-N-CA 121.95 1.767 . . . . 16.66 110.759 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.55 ' OE1' HG22 ' A' ' 12' ' ' ILE . 26.4 mt-30 -70.81 -35.7 72.63 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.201 -1.037 . . . . 50.0 108.201 177.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.402 0 CA-C-N 114.999 -1.0 . . . . 16.66 109.691 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.652 HH22 ' N ' ' A' ' 26' ' ' CYS . 13.8 ttp-105 . . . . . 0 C--O 1.232 0.175 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.904 HG21 ' O ' ' A' ' 45' ' ' ALA . 20.3 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.009 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.503 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 16.5 m-85 . . . . . 0 CA--C 1.53 0.18 0 CA-C-O 121.315 0.578 . . . . 25.0 112.454 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 1.127 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -35.63 131.28 0.51 Allowed 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 122.49 1.138 . . . . 16.66 112.391 -177.742 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.726 HG23 ' CD1' ' A' ' 33' ' ' TYR . 14.2 pt -47.78 -7.41 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 112.703 -2.044 . . . . 50.0 109.827 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.968 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.5 OUTLIER -90.14 12.38 18.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.861 -1.063 . . . . 16.66 109.785 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 11' ' ' CYS . 15.7 pttp 45.73 78.79 0.06 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.369 -0.832 . . . . 25.0 113.22 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.527 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 2.9 p -149.33 144.97 18.49 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-N 116.501 -0.318 . . . . 50.0 110.948 178.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -70.66 170.41 17.72 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 123.013 2.475 . . . . 50.0 112.274 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.521 ' HD1' ' H ' ' A' ' 18' ' ' ASP . 0.8 OUTLIER -67.07 134.69 52.36 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.425 0.631 . . . . 50.0 110.565 -179.544 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.736 ' C ' ' H ' ' A' ' 20' ' ' SER . 62.1 m-20 -140.21 113.99 8.81 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.018 -0.992 . . . . 50.0 108.887 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -57.03 7.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.248 0.547 . . . . 50.0 109.999 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.736 ' H ' ' C ' ' A' ' 18' ' ' ASP . 25.2 m -107.05 1.02 24.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.079 -1.082 . . . . 50.0 108.079 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.91 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 1.6 tptm -125.74 132.09 52.41 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.009 -1.451 . . . . 50.0 108.118 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 41.9 p90 -105.83 146.91 29.28 Favored 'General case' 0 CA--C 1.496 -1.102 0 C-N-CA 120.008 -0.677 . . . . 16.66 110.18 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.515 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 51.9 m-85 -123.91 173.87 7.93 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 124.045 1.879 . . . . 50.0 115.972 -175.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.02 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -143.44 130.56 17.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 CA-C-N 109.833 -3.349 . . . . 16.66 106.389 176.827 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.54 124.31 7.56 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 120.316 -0.945 . . . . 16.66 113.92 -177.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 1.457 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.4 t -48.98 110.35 0.35 Allowed 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.078 -1.082 . . . . 16.66 108.078 176.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.633 ' HB3' HG22 ' A' ' 52' ' ' VAL . 58.0 t0 -62.65 -35.7 80.48 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.308 0.575 . . . . 25.0 110.02 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.67 -25.15 13.66 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.109 -0.95 . . . . 50.0 110.299 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.331 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -91.17 -28.25 17.98 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 119.891 -0.724 . . . . 16.66 110.036 179.148 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.788 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 76.79 21.41 1.22 Allowed 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.303 0.853 . . . . 16.66 113.303 178.718 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.564 ' H ' ' CB ' ' A' ' 26' ' ' CYS . 26.0 p30 -135.03 172.07 13.53 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 118.972 0.805 . . . . 50.0 112.811 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.503 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -114.76 149.7 36.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 117.327 2.343 . . . . 16.66 117.327 -173.728 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.73 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -139.93 154.13 47.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.139 -1.391 . . . . 50.0 109.8 172.36 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.991 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 0.4 OUTLIER -67.53 141.59 56.83 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 105.303 -2.11 . . . . 16.66 105.303 176.155 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.544 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.37 -56.41 4.1 Favored Glycine 0 C--N 1.31 -0.899 0 C-N-CA 119.482 -1.342 . . . . 16.66 111.9 -177.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.485 ' HE ' ' HE2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -73.88 -18.14 60.96 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.155 -0.618 . . . . 50.0 110.038 179.528 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 1.127 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.8 t -50.51 -29.19 9.96 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.387 -0.968 . . . . 16.66 108.387 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 m -119.09 9.41 6.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.12 -0.945 . . . . 16.66 110.73 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 74.9 45.9 19.22 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 121.209 -0.519 . . . . 16.66 112.194 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.544 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -112.75 167.89 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.844 0.354 . . . . 16.66 110.825 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.4 mm? -60.5 164.77 4.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.364 0.602 . . . . 50.0 110.346 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -78.1 -55.59 5.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.493 -0.776 . . . . 25.0 110.359 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.582 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 58.1 m -70.03 -15.24 62.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.376 -0.829 . . . . 50.0 109.327 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.741 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -41.8 -20.93 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.352 -0.84 . . . . 50.0 110.953 -178.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.741 ' O ' HG21 ' B' ' 3' ' ' THR . . . -71.53 -47.13 57.15 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 120.639 -0.424 . . . . 25.0 110.82 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -88.24 -43.92 11.23 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.48 1.289 . . . . 50.0 114.48 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.041 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -55.5 -25.34 36.64 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.885 0.698 . . . . 16.66 112.885 -177.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.041 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.0 pp -85.62 172.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.683 0.754 . . . . 25.0 110.328 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -161.47 20.21 0.12 Allowed 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.319 -1.31 . . . . 50.0 109.086 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' A' ' 50' ' ' GLU . 1.6 pp20? -166.16 35.04 0.05 OUTLIER 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 106.821 -1.548 . . . . 50.0 106.821 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.665 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 20.8 t80 -66.4 146.63 54.35 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 114.937 -1.028 . . . . 16.66 111.374 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.665 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 14.5 t -137.31 159.79 35.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 113.554 -1.657 . . . . 50.0 108.875 177.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.457 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.4 p -80.66 158.05 71.42 Favored Pre-proline 0 N--CA 1.416 -2.147 0 CA-C-O 121.355 0.598 . . . . 16.66 109.712 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 19.1 Cg_endo -82.18 -23.79 4.2 Favored 'Trans proline' 0 C--N 1.276 -3.274 0 C-N-CA 121.877 1.718 . . . . 16.66 110.905 -179.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -74.75 -37.48 62.47 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.878 -0.786 . . . . 50.0 108.878 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 1.142 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-N 115.72 -0.673 . . . . 16.66 110.109 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.629 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 13.5 ptt-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.216 0.531 . . . . 0.0 110.784 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.741 HG21 ' O ' ' A' ' 45' ' ' ALA . 31.4 m . . . . . 0 C--N 1.329 -0.293 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 16.6 m-85 . . . . . 0 N--CA 1.448 -0.567 0 CA-C-O 121.229 0.538 . . . . 25.0 110.789 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 1.117 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -37.09 132.68 0.7 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 122.427 1.108 . . . . 16.66 111.868 -178.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.715 HG23 ' CD1' ' A' ' 33' ' ' TYR . 21.0 pt -46.15 -6.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-N 112.721 -2.036 . . . . 50.0 110.202 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.98 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -85.26 -28.39 25.37 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.271 -0.877 . . . . 16.66 110.724 179.459 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.577 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 93.2 mttt 84.28 78.42 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.192 0.442 . . . . 25.0 112.192 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.598 HG22 ' NE2' ' A' ' 34' ' ' HIS . 0.5 OUTLIER -152.45 147.09 18.97 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 120.966 -0.294 . . . . 50.0 111.184 178.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.13 153.66 57.03 Favored 'Trans proline' 0 N--CA 1.504 2.135 0 C-N-CA 123.594 2.862 . . . . 50.0 112.509 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.559 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 1.8 t80 -67.69 124.06 22.22 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.04 0.448 . . . . 50.0 109.974 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.557 ' C ' ' H ' ' A' ' 20' ' ' SER . 63.5 t0 -133.86 133.36 41.44 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.59 -0.732 . . . . 50.0 110.232 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.18 1.53 0.46 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.669 -0.696 . . . . 50.0 109.179 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.557 ' H ' ' C ' ' A' ' 18' ' ' ASP . 73.2 m -96.81 -7.62 33.18 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 107.791 -1.189 . . . . 50.0 107.791 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.862 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 5.4 tptp -123.55 131.41 53.62 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 113.451 -1.704 . . . . 50.0 107.224 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 44.6 p90 -109.6 138.99 45.16 Favored 'General case' 0 CA--C 1.495 -1.136 0 C-N-CA 119.818 -0.753 . . . . 16.66 110.478 -179.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 12.1 m-85 -116.27 173.97 6.3 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-O 123.901 1.81 . . . . 50.0 115.294 -176.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.033 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -145.59 133.17 15.73 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 CA-C-N 110.074 -3.239 . . . . 16.66 107.203 178.125 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -92.76 127.31 8.93 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 120.568 -0.825 . . . . 16.66 113.929 -178.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 1.316 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 7.9 t -58.4 114.31 2.38 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.67 0.788 . . . . 16.66 108.927 177.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.577 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 59.3 t0 -50.86 -34.4 27.91 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.335 -0.546 . . . . 25.0 110.83 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.5 -35.26 7.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.493 -0.321 . . . . 50.0 110.765 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.316 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -83.43 -0.12 48.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.105 0.478 . . . . 16.66 110.39 -178.711 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 4.2 pt20 33.21 33.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.964 -1.016 . . . . 16.66 112.948 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.474 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 20.6 p30 -133.34 169.83 16.35 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 120.279 -0.568 . . . . 50.0 110.899 178.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.507 ' HA ' ' O ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -121.93 149.11 43.9 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 116.172 1.915 . . . . 16.66 116.172 -174.448 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.747 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -135.62 158.22 44.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.713 -1.13 . . . . 50.0 110.014 173.828 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.953 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 1.4 m80 -70.31 138.95 51.94 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 105.577 -2.009 . . . . 16.66 105.577 176.167 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -45.5 -42.39 9.89 Favored Glycine 0 C--N 1.303 -1.263 0 C-N-CA 119.126 -1.511 . . . . 16.66 111.157 -178.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.48 ' CD ' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -80.52 -20.61 43.16 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.299 -0.561 . . . . 50.0 109.568 179.069 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 1.117 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.5 OUTLIER -53.61 -25.71 18.76 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.744 -0.835 . . . . 16.66 108.744 179.613 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.3 m -125.57 9.42 4.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.225 -0.898 . . . . 16.66 111.132 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.21 45.98 37.07 Favored Glycine 0 N--CA 1.462 0.419 0 CA-C-N 115.998 -0.546 . . . . 16.66 112.497 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.503 HG12 ' OE1' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -108.15 166.91 4.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 110.238 -0.282 . . . . 16.66 110.238 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.756 ' N ' ' OE1' ' A' ' 44' ' ' GLU . 9.3 mp -60.37 164.43 4.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.219 0.533 . . . . 50.0 109.867 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -78.47 -56.18 4.64 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.442 -0.799 . . . . 25.0 111.166 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.579 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 73.5 m -71.43 -15.41 62.34 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.708 . . . . 50.0 109.277 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.784 ' HA ' HD11 ' A' ' 47' ' ' LEU . 2.5 tt0 -42.97 -19.4 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 115.467 -0.788 . . . . 50.0 111.105 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.765 ' O ' HG21 ' B' ' 3' ' ' THR . . . -68.6 -50.1 54.19 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.529 -0.468 . . . . 25.0 110.959 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -87.8 -44.43 11.12 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.417 1.265 . . . . 50.0 114.417 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.081 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -55.04 -23.97 22.57 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.528 0.566 . . . . 16.66 112.528 -177.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.081 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -85.8 171.82 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.504 0.668 . . . . 25.0 110.102 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.417 ' H ' ' H ' ' A' ' 50' ' ' GLU . 22.0 t70 -161.1 8.54 0.08 Allowed 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.67 -1.15 . . . . 50.0 109.456 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.417 ' H ' ' H ' ' A' ' 49' ' ' ASP . 21.4 pt-20 -149.69 36.15 0.71 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 106.564 -1.643 . . . . 50.0 106.564 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.648 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 55.9 t80 -66.97 145.57 55.28 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.536 -1.211 . . . . 16.66 112.495 -177.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.648 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 9.2 t -138.51 157.72 30.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 113.137 -1.847 . . . . 50.0 108.643 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.305 ' CB ' ' HG ' ' A' ' 26' ' ' CYS . 1.4 p -75.61 160.52 79.08 Favored Pre-proline 0 N--CA 1.413 -2.303 0 N-CA-C 108.356 -0.979 . . . . 16.66 108.356 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 26.4 Cg_endo -81.17 -25.19 4.12 Favored 'Trans proline' 0 C--N 1.275 -3.321 0 C-N-CA 121.735 1.623 . . . . 16.66 111.577 -178.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -78.84 -29.11 44.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.249 -1.019 . . . . 50.0 108.249 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 1.044 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 38.4 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 114.351 -1.295 . . . . 16.66 110.314 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.577 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 4.4 ptt85 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.22 0.533 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.765 HG21 ' O ' ' A' ' 45' ' ' ALA . 17.3 m . . . . . 0 C--N 1.327 -0.374 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 10.4 m-85 . . . . . 0 N--CA 1.449 -0.52 0 CA-C-O 121.001 0.429 . . . . 25.0 110.952 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 1.083 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -37.93 132.45 0.96 Allowed 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 122.318 1.056 . . . . 16.66 111.747 -178.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.76 HG23 ' CD1' ' A' ' 33' ' ' TYR . 19.6 pt -47.79 -6.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 CA-C-N 113.05 -1.886 . . . . 50.0 110.205 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.015 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -81.26 -27.45 35.16 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.169 -0.923 . . . . 16.66 110.652 179.444 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 22.9 mtmm 85.95 78.78 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.483 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 19.5 p -156.03 148.62 17.89 Favored Pre-proline 0 N--CA 1.468 0.433 0 CA-C-O 120.629 0.252 . . . . 50.0 110.96 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.07 166.4 25.01 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 123.114 2.542 . . . . 50.0 112.166 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.533 ' HD1' ' H ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -65.14 135.75 55.86 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.397 0.618 . . . . 50.0 110.496 -179.353 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.73 ' C ' ' H ' ' A' ' 20' ' ' SER . 83.8 m-20 -139.4 114.51 9.58 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 114.825 -1.079 . . . . 50.0 108.761 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -55.99 4.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.206 0.526 . . . . 50.0 109.637 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.73 ' H ' ' C ' ' A' ' 18' ' ' ASP . 15.1 m -102.38 -6.19 23.29 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.633 -0.877 . . . . 50.0 108.633 178.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.74 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 2.4 tptm -120.08 134.12 55.34 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 114.71 -1.132 . . . . 50.0 108.277 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CZ ' ' OE1' ' A' ' 42' ' ' GLN . 51.3 p90 -109.47 141.25 42.18 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.751 -0.658 . . . . 16.66 109.671 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.622 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 7.0 m-85 -119.01 175.66 5.66 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 123.939 1.828 . . . . 50.0 114.851 -176.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.11 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -142.9 122.57 9.27 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 CA-C-N 110.153 -3.203 . . . . 16.66 108.012 178.227 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -93.22 120.5 6.24 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 110.727 -0.949 . . . . 16.66 110.727 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 1.373 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -82.25 113.99 20.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.802 0.811 . . . . 16.66 110.0 -179.365 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.594 ' N ' ' HE ' ' B' ' 2' ' ' ARG . 93.2 m-20 -39.21 -39.4 0.61 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.179 -1.373 . . . . 25.0 114.005 -176.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.654 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -102.59 -9.51 20.07 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.285 -0.566 . . . . 50.0 110.689 -179.069 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.44 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -100.6 -3.48 30.4 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.802 -0.814 . . . . 16.66 108.802 179.714 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.595 ' C ' HH22 ' B' ' 2' ' ' ARG . 0.1 OUTLIER 37.31 16.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.251 -1.341 . . . . 16.66 113.653 177.331 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.813 ' N ' HH22 ' B' ' 2' ' ' ARG . 34.8 p-10 -134.17 168.88 18.05 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 119.175 -1.01 . . . . 50.0 112.283 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.583 ' CZ3' ' NH1' ' B' ' 2' ' ' ARG . 0.0 OUTLIER -115.29 143.74 44.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 114.731 1.382 . . . . 16.66 114.731 -175.126 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.796 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -130.47 148.91 52.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.895 -0.593 . . . . 50.0 111.011 175.504 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 1.043 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -62.79 141.44 58.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 104.869 -2.271 . . . . 16.66 104.869 175.496 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.517 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.01 -59.47 2.91 Favored Glycine 0 C--N 1.31 -0.894 0 C-N-CA 119.491 -1.337 . . . . 16.66 111.862 -177.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.433 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -69.34 -19.97 63.86 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.498 -0.481 . . . . 50.0 110.56 179.797 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 1.083 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.2 t -50.72 -30.87 14.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 119.555 -0.858 . . . . 16.66 108.927 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.6 m -116.87 10.89 7.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.298 -0.864 . . . . 16.66 110.753 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 74.13 45.53 25.26 Favored Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.8 -0.637 . . . . 16.66 112.176 178.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.517 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -114.59 167.12 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.139 0.495 . . . . 16.66 111.037 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.55 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 76.4 mt -65.08 165.87 10.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.435 -0.802 . . . . 50.0 111.36 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.57 ' OE1' ' CZ ' ' A' ' 22' ' ' PHE . 2.3 tp-100 -79.09 -56.49 4.33 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.91 -1.041 . . . . 25.0 109.944 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.67 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 41.6 m -59.11 -27.89 66.01 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.168 -0.924 . . . . 50.0 109.026 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.857 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -42.1 -19.15 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 114.698 -1.137 . . . . 50.0 111.315 -177.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.936 ' O ' HG21 ' B' ' 3' ' ' THR . . . -69.06 -54.06 17.06 Favored 'General case' 0 C--N 1.31 -1.119 0 C-N-CA 120.227 -0.589 . . . . 25.0 110.337 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -88.4 -43.4 11.52 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 115.017 1.488 . . . . 50.0 115.017 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.11 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.5 pp -55.57 -26.14 41.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.331 0.863 . . . . 16.66 113.331 -176.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.11 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.4 pp -85.48 171.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.775 0.797 . . . . 25.0 110.109 -179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 49' ' ' ASP . 51.1 t0 -160.81 10.46 0.09 Allowed 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 114.346 -1.297 . . . . 50.0 108.923 -178.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -151.42 35.27 0.57 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 113.974 -1.466 . . . . 50.0 107.263 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.704 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 21.8 t80 -66.79 148.47 51.89 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.181 -0.918 . . . . 16.66 111.298 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.704 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 13.1 t -137.96 159.49 33.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.083 -1.417 . . . . 50.0 110.561 178.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.44 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -72.57 163.16 69.95 Favored Pre-proline 0 CA--C 1.481 -1.678 0 N-CA-C 108.458 -0.942 . . . . 16.66 108.458 -179.487 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -82.33 -23.98 3.98 Favored 'Trans proline' 0 C--N 1.262 -3.996 0 C-N-CA 121.348 1.366 . . . . 16.66 109.313 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -88.86 -57.99 2.71 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.763 -1.108 . . . . 50.0 110.751 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 1.301 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 27.5 p . . . . . 0 N--CA 1.465 0.28 0 N-CA-C 113.12 0.785 . . . . 16.66 113.12 -178.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.813 HH22 ' N ' ' A' ' 31' ' ' ASN . 31.8 ptt85 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 121.149 0.5 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.936 HG21 ' O ' ' A' ' 45' ' ' ALA . 18.5 m . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.142 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 43.2 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.348 0.594 . . . . 25.0 111.92 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 1.098 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -37.26 137.92 0.34 Allowed 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 122.53 1.157 . . . . 16.66 112.526 -178.193 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.768 HG23 ' CD1' ' A' ' 33' ' ' TYR . 18.3 pt -46.91 -6.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 CA-C-N 112.79 -2.005 . . . . 50.0 110.506 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.949 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -83.89 -31.19 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.402 -0.817 . . . . 16.66 110.641 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.707 ' CG ' ' O ' ' A' ' 14' ' ' LYS . 10.0 pttt 89.33 80.26 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.632 0.729 . . . . 25.0 111.531 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.499 HG22 ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -155.35 140.21 12.04 Favored Pre-proline 0 CA--C 1.539 0.53 0 O-C-N 121.903 -0.498 . . . . 50.0 111.195 -179.489 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.499 ' HD2' HG22 ' A' ' 15' ' ' THR . 21.1 Cg_endo -62.51 168.29 10.07 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 122.408 2.072 . . . . 50.0 111.488 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.693 ' HE1' ' HE1' ' A' ' 23' ' ' TYR . 1.5 t80 -73.83 133.26 43.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.58 0.705 . . . . 50.0 111.955 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.541 ' N ' ' CD1' ' A' ' 17' ' ' TYR . 48.8 t0 -140.39 144.21 36.09 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.418 -1.265 . . . . 50.0 108.681 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.75 9.28 1.52 Allowed 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.394 -0.523 . . . . 50.0 109.708 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 18' ' ' ASP . 54.7 p -96.21 -1.09 48.94 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.962 -0.755 . . . . 50.0 108.962 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.7 ' HG3' ' OH ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -130.51 139.69 50.5 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 114.744 -1.116 . . . . 50.0 108.968 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.479 ' CZ ' ' HA3' ' A' ' 35' ' ' GLY . 49.0 p90 -115.4 135.95 53.59 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 107.415 -1.328 . . . . 16.66 107.415 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.7 ' OH ' ' HG3' ' A' ' 21' ' ' LYS . 6.1 m-85 -111.4 174.04 6.06 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-O 124.173 1.94 . . . . 50.0 115.699 -175.017 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.076 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -143.11 125.21 12.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 CA-C-N 109.446 -3.524 . . . . 16.66 108.429 178.673 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.533 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -91.36 117.67 5.24 Favored Glycine 0 CA--C 1.533 1.182 0 N-CA-C 111.522 -0.631 . . . . 16.66 111.522 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 1.349 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 1.7 t -70.04 124.37 23.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.298 0.57 . . . . 16.66 109.975 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -44.66 -47.92 10.54 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.715 1.006 . . . . 25.0 113.715 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.434 HH11 ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -99.57 -31.7 11.47 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.396 -0.522 . . . . 50.0 111.094 -178.856 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.375 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -77.85 0.18 24.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.981 -1.118 . . . . 16.66 107.981 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.543 ' HA ' ' CZ ' ' B' ' 2' ' ' ARG . 5.1 pt20 30.67 23.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 112.85 -1.977 . . . . 16.66 115.593 177.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' CYS . 40.3 p-10 -135.17 170.29 16.14 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 119.457 1.026 . . . . 50.0 112.349 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.62 ' CZ3' ' NH1' ' B' ' 2' ' ' ARG . 0.0 OUTLIER -108.61 147.8 31.29 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 115.395 1.628 . . . . 16.66 115.395 -175.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.809 ' OH ' ' HB3' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -128.65 150.65 50.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.473 -0.785 . . . . 50.0 109.291 174.097 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.914 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 1.5 m80 -62.71 148.06 47.74 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 105.12 -2.178 . . . . 16.66 105.12 176.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' HA3' ' CZ ' ' A' ' 22' ' ' PHE . . . -48.38 -54.08 14.07 Favored Glycine 0 C--N 1.303 -1.263 0 C-N-CA 119.042 -1.551 . . . . 16.66 111.909 -178.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.425 ' H ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -76.42 -18.18 58.96 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.427 -0.509 . . . . 50.0 110.45 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 1.098 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -50.18 -33.08 17.98 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 119.145 -1.022 . . . . 16.66 108.532 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 m -119.06 20.8 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.148 -0.933 . . . . 16.66 110.839 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.4 46.37 93.12 Favored Glycine 0 N--CA 1.465 0.576 0 CA-C-N 115.635 -0.712 . . . . 16.66 111.58 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -102.66 167.61 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.292 0.567 . . . . 16.66 112.156 -178.54 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.722 HD22 ' N ' ' A' ' 41' ' ' LEU . 2.1 mm? -62.95 165.53 6.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.163 -0.926 . . . . 50.0 110.866 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -78.14 -54.79 5.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.601 -0.727 . . . . 25.0 109.866 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 45' ' ' ALA . 4.9 t -69.34 -15.1 63.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.938 -1.028 . . . . 50.0 109.741 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.864 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -42.39 -19.07 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.702 -0.681 . . . . 50.0 110.641 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.843 ' O ' HG21 ' B' ' 3' ' ' THR . . . -83.01 -41.97 18.07 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.473 -0.491 . . . . 25.0 111.226 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.549 ' C ' ' H ' ' A' ' 48' ' ' ILE . 69.5 tt0 -87.67 -53.82 4.58 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.834 1.05 . . . . 50.0 113.834 -178.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.864 HD11 ' HA ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -71.56 15.06 0.15 Allowed 'General case' 0 CA--C 1.492 -1.263 0 CA-C-O 121.064 0.459 . . . . 16.66 110.745 -179.072 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.804 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.4 OUTLIER -116.59 149.76 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.541 0 CA-C-N 115.472 -0.786 . . . . 25.0 112.94 -176.773 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.723 ' H ' HD13 ' A' ' 48' ' ' ILE . 58.6 t0 -154.07 -18.63 0.13 Allowed 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.406 -1.27 . . . . 50.0 110.224 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -119.26 26.19 9.62 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.883 -0.599 . . . . 50.0 110.173 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.542 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 35.9 t80 -67.16 146.94 53.72 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 119.934 -0.706 . . . . 16.66 110.064 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.542 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 3.2 t -135.99 152.24 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 115.399 -0.818 . . . . 50.0 110.211 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.375 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -67.23 163.2 48.18 Favored Pre-proline 0 CA--C 1.479 -1.779 0 CA-C-N 115.497 -0.774 . . . . 16.66 109.492 -178.793 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -82.61 -16.35 7.98 Favored 'Trans proline' 0 C--N 1.266 -3.813 0 C-N-CA 121.659 1.573 . . . . 16.66 108.535 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -87.43 -56.41 3.37 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 114.148 -1.387 . . . . 50.0 110.524 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 1.323 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER . . . . . 0 CA--C 1.531 0.245 0 C-N-CA 120.027 -0.669 . . . . 16.66 111.108 -179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.62 ' NH1' ' CZ3' ' A' ' 32' ' ' TRP . 25.9 mtm105 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.516 0.198 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.843 HG21 ' O ' ' A' ' 45' ' ' ALA . 33.4 m . . . . . 0 C--N 1.326 -0.456 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.473 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.647 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 10.0 m-85 . . . . . 0 CA--C 1.53 0.18 0 N-CA-C 112.517 0.562 . . . . 25.0 112.517 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 22.5 t -35.5 136.16 0.23 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.97 0.89 . . . . 16.66 112.231 -178.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.76 HG23 ' CD2' ' A' ' 33' ' ' TYR . 22.2 pt -53.34 -7.13 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 113.805 -1.543 . . . . 50.0 107.669 177.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.993 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -87.53 -18.51 29.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.126 -1.852 . . . . 16.66 110.81 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 44.6 mtpt 77.76 79.13 0.07 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.445 -0.343 . . . . 25.0 111.923 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.593 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 24.8 p -148.3 150.7 35.27 Favored Pre-proline 0 N--CA 1.468 0.428 0 CA-C-O 120.699 0.285 . . . . 50.0 111.761 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.94 170.95 18.91 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 123.094 2.529 . . . . 50.0 111.896 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.647 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 1.0 OUTLIER -77.04 131.7 38.56 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 121.481 0.658 . . . . 50.0 110.731 -179.31 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.709 ' C ' ' H ' ' A' ' 20' ' ' SER . 78.6 m-20 -140.89 120.09 12.93 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 114.835 -1.075 . . . . 50.0 109.263 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.55 4.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.398 0.618 . . . . 50.0 109.373 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.709 ' H ' ' C ' ' A' ' 18' ' ' ASP . 62.0 m -98.21 -23.75 15.56 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 107.636 -1.246 . . . . 50.0 107.636 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.693 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -99.54 129.92 45.74 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 106.342 -1.725 . . . . 50.0 106.342 178.347 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 19.5 p90 -105.27 146.85 28.76 Favored 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 119.784 -0.767 . . . . 16.66 109.433 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.538 ' CE1' ' CE1' ' A' ' 17' ' ' TYR . 75.9 m-85 -124.27 171.95 9.47 Favored 'General case' 0 N--CA 1.433 -1.297 0 N-CA-C 116.762 2.134 . . . . 50.0 116.762 -174.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.984 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.15 129.22 9.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 109.168 -3.651 . . . . 16.66 106.333 177.034 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -95.46 124.25 7.93 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.587 -0.816 . . . . 16.66 113.972 -177.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 1.483 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.6 OUTLIER -48.94 113.36 0.77 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 107.782 -1.192 . . . . 16.66 107.782 176.721 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.514 ' CG ' ' O ' ' A' ' 51' ' ' TYR . 88.6 m-20 -62.97 -38.4 90.96 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 121.746 0.784 . . . . 25.0 109.083 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -97.18 -36.73 10.35 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.291 -1.322 . . . . 50.0 110.875 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.309 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -79.61 -28.24 40.98 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.032 -0.667 . . . . 16.66 110.516 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.797 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 73.56 23.55 2.42 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.343 0.868 . . . . 16.66 113.343 178.702 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.5 ' OD1' ' OH ' ' A' ' 33' ' ' TYR . 4.6 p30 -134.84 171.36 14.5 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 121.53 -0.731 . . . . 50.0 112.449 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.48 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -118.3 148.47 42.42 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 116.754 2.131 . . . . 16.66 116.754 -174.228 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.76 ' CD2' HG23 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -140.22 162.44 35.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.118 -1.401 . . . . 50.0 109.66 174.162 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.693 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -72.73 138.61 46.66 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 105.28 -2.119 . . . . 16.66 105.28 176.331 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.537 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.09 -45.2 4.97 Favored Glycine 0 C--N 1.307 -1.057 0 C-N-CA 119.23 -1.462 . . . . 16.66 111.642 -177.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.427 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.9 OUTLIER -79.12 -19.49 50.99 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.312 -0.555 . . . . 50.0 109.772 179.34 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.993 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.4 t -51.42 -27.77 11.08 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 108.463 -0.94 . . . . 16.66 108.463 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.8 m -119.98 14.27 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 114.9 -1.045 . . . . 16.66 111.037 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 69.72 46.57 53.25 Favored Glycine 0 N--CA 1.462 0.405 0 CA-C-N 115.982 -0.554 . . . . 16.66 112.12 178.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.537 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -115.71 166.12 10.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 110.263 -0.273 . . . . 16.66 110.263 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.789 ' N ' ' OE2' ' A' ' 44' ' ' GLU . 9.1 mp -61.25 164.38 5.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.277 0.561 . . . . 50.0 109.976 178.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -78.51 -56.45 4.42 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.505 -0.771 . . . . 25.0 111.126 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.529 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 68.3 m -70.08 -15.43 62.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.973 -0.751 . . . . 50.0 108.973 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.793 ' HA ' HD11 ' A' ' 47' ' ' LEU . 2.4 tt0 -43.27 -18.84 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.329 -0.851 . . . . 50.0 111.361 -178.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.759 ' O ' HG21 ' B' ' 3' ' ' THR . . . -70.78 -46.28 63.2 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 120.319 -0.552 . . . . 25.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -87.67 -45.38 10.44 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.142 1.164 . . . . 50.0 114.142 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.053 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -55.34 -24.48 29.46 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.086 0.402 . . . . 16.66 112.086 -177.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.053 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -85.49 171.97 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.366 0.603 . . . . 25.0 109.452 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.447 ' OD2' ' O ' ' A' ' 49' ' ' ASP . 51.0 t0 -158.88 15.97 0.18 Allowed 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.976 -1.011 . . . . 50.0 109.688 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -160.41 36.84 0.17 Allowed 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 107.254 -1.387 . . . . 50.0 107.254 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.68 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 19.9 t80 -67.09 146.79 53.92 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 114.981 -1.009 . . . . 16.66 111.155 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.68 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 13.0 t -137.31 159.21 35.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 113.624 -1.625 . . . . 50.0 108.457 177.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.483 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.9 p -80.35 159.44 69.99 Favored Pre-proline 0 N--CA 1.413 -2.305 0 CA-C-O 121.546 0.689 . . . . 16.66 109.904 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 20.1 Cg_endo -80.37 -25.04 4.97 Favored 'Trans proline' 0 C--N 1.275 -3.312 0 C-N-CA 121.974 1.782 . . . . 16.66 110.241 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.59 -34.44 72.17 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.817 -1.179 . . . . 50.0 107.817 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 1.18 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-N 114.919 -1.037 . . . . 16.66 109.93 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' A' ' 26' ' ' CYS . 11.7 ttm105 . . . . . 0 C--O 1.231 0.085 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.759 HG21 ' O ' ' A' ' 45' ' ' ALA . 17.3 m . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.197 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.495 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 16.6 m-85 . . . . . 0 CA--C 1.531 0.247 0 CA-C-O 121.659 0.742 . . . . 25.0 111.067 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.992 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -32.83 122.49 0.36 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.535 -1.211 . . . . 16.66 112.176 -179.324 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.75 HG23 ' CD1' ' A' ' 33' ' ' TYR . 22.6 pt -47.49 -6.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 113.15 -1.841 . . . . 50.0 109.692 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.949 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -86.67 -3.37 59.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.49 -1.232 . . . . 16.66 110.045 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 11' ' ' CYS . 44.5 mtpt 67.56 72.69 0.33 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.797 -0.638 . . . . 25.0 112.053 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.5 p -146.9 143.09 17.86 Favored Pre-proline 0 CA--C 1.533 0.322 0 C-N-CA 121.008 -0.277 . . . . 50.0 111.273 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.05 169.1 23.21 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.995 2.464 . . . . 50.0 111.499 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.49 ' CE1' ' CE1' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -65.77 129.53 40.09 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 121.45 0.643 . . . . 50.0 110.508 -179.47 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.708 ' C ' ' H ' ' A' ' 20' ' ' SER . 89.6 m-20 -140.48 119.03 12.27 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 114.806 -1.088 . . . . 50.0 108.959 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -56.2 3.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.376 -0.602 . . . . 50.0 109.376 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.708 ' H ' ' C ' ' A' ' 18' ' ' ASP . 66.9 m -95.47 -25.25 16.31 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 107.962 -1.125 . . . . 50.0 107.962 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.694 ' HZ3' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -99.1 131.49 45.1 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.012 -1.449 . . . . 50.0 107.464 178.523 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 52.4 p90 -108.14 135.45 49.47 Favored 'General case' 0 CA--C 1.498 -1.05 0 C-N-CA 119.53 -0.868 . . . . 16.66 110.033 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.518 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 72.2 m-85 -110.13 173.16 6.45 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 117.268 2.321 . . . . 50.0 117.268 -174.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.981 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -148.24 128.66 4.81 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 CA-C-N 109.202 -3.635 . . . . 16.66 106.602 177.375 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.521 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -89.57 125.62 7.91 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 120.913 -0.66 . . . . 16.66 114.354 -177.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 1.468 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -53.04 110.28 0.51 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.197 -1.409 . . . . 16.66 107.197 176.224 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.624 ' H ' ' HA ' ' A' ' 52' ' ' VAL . 60.3 t0 -60.83 -37.8 83.26 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.54 0.686 . . . . 25.0 109.482 -178.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.438 ' HG3' ' HB3' ' A' ' 56' ' ' CYS . 0.2 OUTLIER -97.77 -38.47 9.46 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 114.677 -1.147 . . . . 50.0 110.466 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.305 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.54 -28.24 51.88 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.041 -0.664 . . . . 16.66 110.406 -179.496 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.762 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER 75.56 21.39 1.75 Allowed 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.098 0.777 . . . . 16.66 113.098 178.773 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.601 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 25.8 p30 -135.14 172.07 13.53 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 118.76 0.709 . . . . 50.0 112.316 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.495 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -118.67 149.18 41.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 116.41 2.004 . . . . 16.66 116.41 -174.417 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.75 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -136.77 161.84 34.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.66 -1.154 . . . . 50.0 108.319 173.178 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.892 ' HD1' ' HG ' ' A' ' 37' ' ' CYS . 22.5 p-80 -82.68 141.33 32.53 Favored 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 106.036 -1.839 . . . . 16.66 106.036 176.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.496 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -40.11 -49.61 3.55 Favored Glycine 0 C--N 1.304 -1.22 0 C-N-CA 119.983 -1.103 . . . . 16.66 113.691 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.661 ' N ' ' CD ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -74.37 -20.41 60.09 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 117.878 0.839 . . . . 50.0 109.414 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.992 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -51.17 -29.99 15.48 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.385 -0.825 . . . . 16.66 108.78 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.27 13.78 4.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.147 -0.933 . . . . 16.66 110.884 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.14 45.75 78.65 Favored Glycine 0 N--CA 1.461 0.308 0 CA-C-N 115.639 -0.709 . . . . 16.66 112.055 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.496 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -107.55 167.63 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.933 0.396 . . . . 16.66 110.854 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.612 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.7 mp -61.35 164.76 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.948 -0.569 . . . . 50.0 110.409 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -78.26 -55.69 5.06 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.575 -0.739 . . . . 25.0 110.151 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.621 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 59.7 m -69.35 -15.87 63.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.412 -0.813 . . . . 50.0 109.205 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.716 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -42.01 -20.26 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 115.336 -0.847 . . . . 50.0 110.977 -178.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.732 ' O ' HG21 ' B' ' 3' ' ' THR . . . -73.12 -47.77 41.35 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 120.419 -0.512 . . . . 25.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -88.17 -41.7 12.81 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.292 1.219 . . . . 50.0 114.292 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.046 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.2 pp -55.99 -25.89 46.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.011 0.374 . . . . 16.66 112.011 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.046 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.2 pp -85.87 172.22 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.424 0.63 . . . . 25.0 109.728 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' OD2' ' O ' ' A' ' 49' ' ' ASP . 49.5 t0 -159.59 10.82 0.12 Allowed 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.794 -1.093 . . . . 50.0 109.45 -178.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -158.77 40.85 0.24 Allowed 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 106.525 -1.657 . . . . 50.0 106.525 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.689 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 20.2 t80 -65.95 145.25 56.13 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 114.43 -1.259 . . . . 16.66 111.578 -178.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.689 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 12.9 t -133.92 159.46 42.39 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 113.394 -1.73 . . . . 50.0 108.427 177.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.468 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 6.3 p -81.6 159.38 66.87 Favored Pre-proline 0 N--CA 1.414 -2.253 0 CA-C-O 121.549 0.69 . . . . 16.66 110.138 -179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.512 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 26.5 Cg_endo -81.68 -24.05 4.46 Favored 'Trans proline' 0 C--N 1.278 -3.162 0 C-N-CA 122.01 1.807 . . . . 16.66 109.926 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 55' ' ' GLN . 1.9 tm0? -71.11 -36.12 72.04 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.343 -1.354 . . . . 50.0 107.343 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 CA-C-N 114.726 -1.125 . . . . 16.66 109.388 178.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.715 HH21 ' N ' ' A' ' 26' ' ' CYS . 18.1 mtm105 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.739 0.304 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.732 HG21 ' O ' ' A' ' 45' ' ' ALA . 6.0 m . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.163 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.561 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 16.2 m-85 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.998 0.427 . . . . 25.0 112.021 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 9.9 t -35.4 134.17 0.32 Allowed 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 122.026 0.917 . . . . 16.66 112.182 -178.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.788 HG23 ' CD2' ' A' ' 33' ' ' TYR . 19.3 pt -52.14 -7.28 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 113.803 -1.544 . . . . 50.0 108.382 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.984 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -87.1 -8.64 56.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.764 -1.562 . . . . 16.66 110.613 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 57.1 mttp 71.49 78.67 0.17 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.171 -0.468 . . . . 25.0 112.1 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.6 149.69 21.73 Favored Pre-proline 0 N--CA 1.468 0.441 0 CA-C-O 120.778 0.323 . . . . 50.0 111.267 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.46 177.38 8.44 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 123.057 2.505 . . . . 50.0 112.348 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.557 ' CE1' ' CE1' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -81.05 130.4 35.0 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.367 0.603 . . . . 50.0 110.372 -179.544 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.709 ' C ' ' H ' ' A' ' 20' ' ' SER . 79.7 m-20 -140.38 121.88 15.12 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.046 -0.979 . . . . 50.0 109.12 178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.78 6.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.272 0.558 . . . . 50.0 109.552 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.709 ' H ' ' C ' ' A' ' 18' ' ' ASP . 17.8 m -101.62 -9.5 20.88 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 107.404 -1.332 . . . . 50.0 107.404 178.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.607 ' CE ' ' CD2' ' A' ' 34' ' ' HIS . 17.2 tptt -119.58 130.65 55.24 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 113.165 -1.834 . . . . 50.0 106.176 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 45' ' ' ALA . 51.9 p90 -108.3 145.3 34.6 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 119.446 -0.902 . . . . 16.66 110.046 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 41.1 m-85 -120.63 171.05 8.85 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 116.818 2.155 . . . . 50.0 116.818 -175.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.007 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -149.13 123.76 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 CA-C-N 108.827 -3.806 . . . . 16.66 106.152 176.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.52 ' C ' HH21 ' B' ' 2' ' ' ARG . . . -89.29 128.06 8.99 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 120.592 -0.813 . . . . 16.66 114.589 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 1.469 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -47.51 108.38 0.15 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 106.956 -1.498 . . . . 16.66 106.956 176.145 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -64.37 -33.66 76.36 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.009 0.909 . . . . 25.0 108.621 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.7 ttm-85 -99.59 -33.07 10.78 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 113.76 -1.564 . . . . 50.0 111.217 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.329 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -86.88 -29.05 22.46 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 119.902 -0.719 . . . . 16.66 110.79 -179.22 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.803 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.3 OUTLIER 85.45 15.47 0.15 Allowed 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.454 1.279 . . . . 16.66 114.454 178.021 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.752 ' N ' HH22 ' B' ' 2' ' ' ARG . 27.9 p-10 -135.57 170.97 15.13 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 120.057 1.299 . . . . 50.0 112.227 178.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.714 ' CH2' ' NH1' ' B' ' 2' ' ' ARG . 0.0 OUTLIER -116.01 151.41 35.53 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 116.36 1.985 . . . . 16.66 116.36 -175.109 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.788 ' CD2' HG23 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -140.49 163.91 31.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.612 -1.176 . . . . 50.0 108.636 173.284 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.727 ' O ' ' N ' ' A' ' 37' ' ' CYS . 0.4 OUTLIER -79.51 132.77 36.42 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 107.412 -1.329 . . . . 16.66 107.412 177.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.548 ' HA2' HG13 ' A' ' 38' ' ' VAL . . . -40.75 -37.68 1.38 Allowed Glycine 0 C--N 1.304 -1.214 0 C-N-CA 119.842 -1.17 . . . . 16.66 110.523 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.627 ' HD3' ' N ' ' A' ' 36' ' ' ARG . 2.2 mmt85 -70.67 -33.04 70.51 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.332 -0.988 . . . . 50.0 108.332 178.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 3.0 t -68.59 -49.36 59.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.974 -1.467 . . . . 16.66 110.652 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -80.12 -12.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.299 -1.319 . . . . 16.66 110.051 -179.516 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.94 45.85 8.1 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.547 -0.621 . . . . 16.66 111.547 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.499 HG23 ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -126.48 171.03 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.24 0.543 . . . . 16.66 112.176 -178.724 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.499 ' N ' HG23 ' A' ' 40' ' ' ILE . 18.4 mt -55.06 166.89 0.47 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.275 -0.875 . . . . 50.0 111.53 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -77.83 -54.0 6.84 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.088 -1.415 . . . . 25.0 110.341 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.55 ' O ' ' N ' ' A' ' 45' ' ' ALA . 23.0 m -72.41 -16.06 61.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.983 -1.008 . . . . 50.0 110.113 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.902 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.6 mm-40 -42.89 -17.61 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.032 -0.531 . . . . 50.0 110.48 179.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.843 ' O ' HG21 ' B' ' 3' ' ' THR . . . -81.05 -46.9 14.32 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.84 -0.618 . . . . 25.0 111.6 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.58 ' C ' ' H ' ' A' ' 48' ' ' ILE . 48.1 tp10 -87.15 -53.22 4.98 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.782 1.031 . . . . 50.0 113.782 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.902 HD11 ' HA ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -70.33 14.98 0.1 Allowed 'General case' 0 CA--C 1.491 -1.306 0 CA-C-O 121.068 0.461 . . . . 16.66 110.738 -178.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.791 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -109.74 148.2 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.573 0 CA-C-N 115.341 -0.845 . . . . 25.0 113.21 -176.048 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.761 ' H ' HD13 ' A' ' 48' ' ' ILE . 63.5 t0 -162.99 39.0 0.1 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.699 -1.137 . . . . 50.0 110.775 -178.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.407 ' H ' HD12 ' A' ' 48' ' ' ILE . 23.3 pt-20 -177.21 15.62 0.0 OUTLIER 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.011 -0.737 . . . . 50.0 109.011 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.618 ' OH ' ' HA ' ' A' ' 53' ' ' CYS . 1.6 t80 -69.22 148.15 50.26 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.541 -0.754 . . . . 16.66 111.602 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.602 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 20.6 t -132.68 159.53 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 114.443 -1.253 . . . . 50.0 108.537 177.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.469 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.7 p -76.75 156.91 82.55 Favored Pre-proline 0 N--CA 1.416 -2.162 0 CA-C-O 121.556 0.694 . . . . 16.66 110.241 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.47 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 47.0 Cg_endo -76.67 -26.27 8.51 Favored 'Trans proline' 0 C--N 1.273 -3.402 0 C-N-CA 121.779 1.653 . . . . 16.66 110.494 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -70.07 -34.92 73.78 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.208 -1.034 . . . . 50.0 108.208 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 1.17 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.368 0 CA-C-N 115.026 -0.988 . . . . 16.66 110.148 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.752 HH22 ' N ' ' A' ' 31' ' ' ASN . 25.0 ttp85 . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 121.211 0.529 . . . . 0.0 109.661 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.843 HG21 ' O ' ' A' ' 45' ' ' ALA . 63.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.167 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.582 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 9.4 m-85 . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 113.427 0.899 . . . . 25.0 113.427 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.981 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 18.2 t -30.94 116.8 0.16 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.384 -1.28 . . . . 16.66 113.307 -177.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.715 HG23 ' CD1' ' A' ' 33' ' ' TYR . 12.5 pt -51.99 -11.48 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 112.958 -1.928 . . . . 50.0 108.937 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.989 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -79.88 6.32 11.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.878 -1.51 . . . . 16.66 110.772 -178.859 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? 69.18 54.53 0.43 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.123 -0.489 . . . . 25.0 111.786 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 p -146.21 125.27 6.57 Favored Pre-proline 0 CA--C 1.536 0.437 0 C-N-CA 120.538 -0.465 . . . . 50.0 111.511 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -71.46 -179.3 3.55 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.83 2.353 . . . . 50.0 111.313 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.557 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -64.48 129.46 39.94 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.709 0.766 . . . . 50.0 111.357 -178.747 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.757 ' C ' ' H ' ' A' ' 20' ' ' SER . 86.7 m-20 -141.29 116.51 10.01 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.104 -1.407 . . . . 50.0 107.842 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.11 6.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.251 -0.579 . . . . 50.0 109.487 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.757 ' H ' ' C ' ' A' ' 18' ' ' ASP . 19.0 m -103.48 -7.2 21.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.874 -1.158 . . . . 50.0 107.874 178.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HG3' ' CB ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -119.92 134.16 55.33 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 113.828 -1.533 . . . . 50.0 107.674 179.588 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.796 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 29.2 p90 -106.74 152.8 23.33 Favored 'General case' 0 CA--C 1.497 -1.077 0 C-N-CA 119.786 -0.765 . . . . 16.66 109.479 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.504 ' CE1' ' CE1' ' A' ' 17' ' ' TYR . 51.4 m-85 -129.35 175.72 8.52 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 116.351 1.982 . . . . 50.0 116.351 -175.037 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.982 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -148.18 134.97 13.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 CA-C-N 109.735 -3.393 . . . . 16.66 106.632 177.897 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.96 128.9 9.67 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 120.88 -0.676 . . . . 16.66 113.974 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 1.326 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 1.8 t -55.81 108.14 0.42 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.059 -1.089 . . . . 16.66 108.059 177.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.573 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 57.6 t0 -56.65 -35.46 68.39 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 120.992 0.425 . . . . 25.0 110.508 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.98 -31.94 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 50.0 110.69 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.326 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -81.7 -28.21 33.59 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 120.187 -0.605 . . . . 16.66 110.031 -179.525 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.728 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 74.19 20.5 2.68 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.484 0.92 . . . . 16.66 113.484 178.297 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.419 ' H ' ' CB ' ' A' ' 26' ' ' CYS . 52.9 p-10 -134.37 171.94 13.59 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.957 -0.697 . . . . 50.0 111.338 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.582 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -118.78 153.6 34.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 116.184 1.92 . . . . 16.66 116.184 -174.718 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.758 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -140.24 158.44 44.03 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 113.364 -1.744 . . . . 50.0 106.385 172.803 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.806 ' ND1' ' SG ' ' A' ' 37' ' ' CYS . 18.1 p-80 -79.57 148.07 31.88 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 116.505 -2.078 . . . . 16.66 107.364 177.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.568 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -39.06 -61.74 1.35 Allowed Glycine 0 C--N 1.307 -1.053 0 C-N-CA 120.086 -1.055 . . . . 16.66 113.649 -173.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.543 ' HD2' ' NE2' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -68.77 -17.65 64.07 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 119.715 -0.794 . . . . 50.0 110.082 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.989 ' SG ' ' CB ' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -49.47 -33.68 14.92 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.573 -0.899 . . . . 16.66 108.573 179.62 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.1 m -117.29 16.52 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.935 -1.03 . . . . 16.66 110.506 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 70.84 46.2 47.06 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.321 -0.854 . . . . 16.66 112.542 178.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.568 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -114.67 167.94 6.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.12 0.486 . . . . 16.66 110.767 -179.839 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.527 ' N ' HG23 ' A' ' 40' ' ' ILE . 44.2 mt -61.85 164.94 5.78 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.612 -0.722 . . . . 50.0 110.128 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -78.61 -55.69 5.0 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.531 -0.759 . . . . 25.0 110.634 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.621 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 70.1 m -69.56 -15.27 63.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.507 -0.77 . . . . 50.0 109.072 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.775 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -41.55 -19.94 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 115.327 -0.851 . . . . 50.0 111.004 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.718 ' O ' HG21 ' B' ' 3' ' ' THR . . . -73.8 -47.56 37.82 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 120.59 -0.444 . . . . 25.0 111.234 -179.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -86.48 -43.99 12.33 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.774 1.027 . . . . 50.0 113.774 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.059 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.1 pp -55.82 -24.85 38.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.096 0.406 . . . . 16.66 112.096 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.059 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -86.16 172.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 121.71 0.766 . . . . 25.0 109.981 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.409 ' H ' ' H ' ' A' ' 50' ' ' GLU . 22.4 t70 -158.67 8.25 0.13 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.505 -1.225 . . . . 50.0 109.274 -178.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.409 ' H ' ' H ' ' A' ' 49' ' ' ASP . 30.3 mt-10 -153.69 36.9 0.45 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.018 -1.446 . . . . 50.0 107.244 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.669 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 23.6 t80 -66.18 146.3 54.79 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 122.026 0.917 . . . . 16.66 110.872 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.669 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 21.2 t -137.27 158.8 35.76 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-N 113.687 -1.597 . . . . 50.0 109.204 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.002 ' SG ' ' CB ' ' A' ' 56' ' ' CYS . 4.5 p -77.13 161.44 73.17 Favored Pre-proline 0 N--CA 1.417 -2.108 0 CA-C-O 121.37 0.605 . . . . 16.66 109.45 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 16.2 Cg_endo -81.76 -28.46 2.14 Favored 'Trans proline' 0 C--N 1.278 -3.14 0 C-N-CA 121.954 1.77 . . . . 16.66 111.088 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -71.98 -31.65 66.48 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.184 -1.413 . . . . 50.0 107.184 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 1.19 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 7.6 m . . . . . 0 N--CA 1.451 -0.42 0 CA-C-N 114.18 -1.373 . . . . 16.66 110.325 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.573 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 32.7 mtm180 . . . . . 0 C--O 1.23 0.067 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.718 HG21 ' O ' ' A' ' 45' ' ' ALA . 28.2 m . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.61 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 10.0 m-85 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 120.968 0.414 . . . . 25.0 110.634 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 36.6 t -36.85 133.48 0.58 Allowed 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 122.005 0.907 . . . . 16.66 112.379 -179.091 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.749 HG23 ' CD1' ' A' ' 33' ' ' TYR . 12.5 pt -55.57 -7.08 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 113.62 -1.627 . . . . 50.0 108.101 177.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.953 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -84.24 -12.28 55.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 113.612 -1.631 . . . . 16.66 111.601 -179.053 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 34.2 mtmt 78.29 78.61 0.07 Allowed 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 111.948 0.351 . . . . 25.0 111.948 179.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.52 141.62 7.98 Favored Pre-proline 0 CA--C 1.535 0.371 0 C-N-CA 120.903 -0.319 . . . . 50.0 110.895 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.26 -165.92 0.27 Allowed 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.764 2.309 . . . . 50.0 111.906 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.61 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -86.08 130.93 34.38 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 121.716 0.769 . . . . 50.0 110.969 -179.191 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.74 ' C ' ' H ' ' A' ' 20' ' ' SER . 90.6 m-20 -140.76 116.84 10.53 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 114.415 -1.266 . . . . 50.0 108.247 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -57.43 8.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.291 0.567 . . . . 50.0 109.692 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.74 ' H ' ' C ' ' A' ' 18' ' ' ASP . 31.7 m -101.68 -12.28 18.52 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 107.452 -1.314 . . . . 50.0 107.452 178.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.523 ' HE2' ' CD2' ' A' ' 34' ' ' HIS . 14.0 tptt -115.26 131.08 57.04 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 113.575 -1.648 . . . . 50.0 106.612 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.61 ' CZ ' ' OE1' ' A' ' 42' ' ' GLN . 46.1 p90 -109.55 142.8 40.1 Favored 'General case' 0 CA--C 1.494 -1.21 0 C-N-CA 119.778 -0.769 . . . . 16.66 109.567 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.556 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 38.6 m-85 -119.35 173.81 6.74 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 117.024 2.231 . . . . 50.0 117.024 -174.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.01 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -145.02 134.49 18.32 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 CA-C-N 108.989 -3.732 . . . . 16.66 106.862 177.529 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.94 123.96 7.78 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 120.417 -0.897 . . . . 16.66 113.496 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 1.326 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 1.8 t -48.09 118.24 2.29 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.504 -0.924 . . . . 16.66 108.504 177.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.712 ' HB2' HG22 ' A' ' 52' ' ' VAL . 51.8 t0 -53.1 -37.03 61.36 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.528 -0.469 . . . . 25.0 110.429 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.61 -37.95 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.807 -0.633 . . . . 50.0 110.2 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.326 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -72.53 0.44 10.39 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.391 0.615 . . . . 16.66 109.543 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.551 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 4.6 pt20 31.43 33.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.784 -1.098 . . . . 16.66 112.906 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.543 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 22.0 p30 -134.39 171.2 14.61 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 120.467 -0.493 . . . . 50.0 111.021 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.506 ' HD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -121.8 151.65 40.37 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 116.993 2.22 . . . . 16.66 116.993 -174.045 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.749 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -141.12 166.03 25.92 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 113.705 -1.589 . . . . 50.0 109.454 173.639 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -73.67 141.33 46.46 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 106.06 -1.83 . . . . 16.66 106.06 176.421 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.504 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.33 -46.64 5.52 Favored Glycine 0 C--N 1.305 -1.153 0 C-N-CA 119.595 -1.288 . . . . 16.66 111.379 -178.009 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.502 ' H ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -78.8 -19.68 51.58 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.189 -0.604 . . . . 50.0 109.765 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 4.0 t -51.68 -28.21 14.02 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 119.588 -0.845 . . . . 16.66 108.858 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.3 m -116.72 9.92 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.071 -0.968 . . . . 16.66 110.684 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 75.21 46.08 17.2 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.676 -0.693 . . . . 16.66 112.512 178.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.543 ' CG2' ' HG2' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -115.77 168.24 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.169 0.509 . . . . 16.66 110.83 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.531 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 66.0 mt -63.38 162.33 12.56 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.581 -0.736 . . . . 50.0 111.252 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.61 ' OE1' ' CZ ' ' A' ' 22' ' ' PHE . 2.5 tp-100 -80.39 -55.45 4.88 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.709 0.766 . . . . 25.0 108.933 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.575 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 49.0 m -57.26 -13.99 3.85 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 114.75 -1.114 . . . . 50.0 108.467 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.946 ' O ' HG13 ' A' ' 48' ' ' ILE . 2.5 pp20? -40.82 -52.22 3.05 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 114.934 -1.03 . . . . 50.0 110.409 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.77 ' N ' ' CD ' ' A' ' 44' ' ' GLU . . . -54.86 -36.3 64.95 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 114.705 -1.134 . . . . 25.0 111.43 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' SER . 95.9 mt-10 -89.54 -7.85 54.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.449 1.278 . . . . 50.0 114.449 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.77 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.7 pp -116.28 -20.98 9.54 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 115.122 1.527 . . . . 16.66 115.122 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.946 HG13 ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -86.48 171.08 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-O 121.496 0.665 . . . . 25.0 110.261 -179.324 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -167.91 18.68 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.848 -1.069 . . . . 50.0 109.029 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -160.56 29.07 0.16 Allowed 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 106.75 -1.574 . . . . 50.0 106.75 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.658 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 3.6 t80 -66.83 147.93 52.61 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 114.622 -1.172 . . . . 16.66 110.179 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.712 HG22 ' HB2' ' A' ' 27' ' ' ASP . 21.3 t -134.11 159.52 42.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 CA-C-N 113.957 -1.474 . . . . 50.0 109.098 178.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.018 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 6.3 p -79.83 158.36 73.01 Favored Pre-proline 0 N--CA 1.411 -2.386 0 N-CA-C 109.225 -0.657 . . . . 16.66 109.225 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.516 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 32.8 Cg_endo -77.17 -30.61 4.18 Favored 'Trans proline' 0 C--N 1.272 -3.474 0 C-N-CA 121.766 1.644 . . . . 16.66 110.642 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -70.17 -31.52 69.04 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.718 -0.845 . . . . 50.0 108.718 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 1.199 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-N 115.565 -0.743 . . . . 16.66 110.412 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.583 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 3.4 mtm105 . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.676 0.274 . . . . 0.0 110.513 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.33 -0.266 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.277 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.429 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 25.1 m-85 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.889 0.376 . . . . 25.0 110.789 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 1.231 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -36.42 120.52 0.67 Allowed 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.316 1.055 . . . . 16.66 110.597 -179.266 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.67 HG23 ' CD1' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -43.92 -5.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 CA-C-N 112.767 -2.015 . . . . 50.0 110.691 -178.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.998 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -80.88 -22.0 40.18 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.995 -0.548 . . . . 16.66 109.818 177.445 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.719 ' CG ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 89.81 80.2 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.842 1.053 . . . . 25.0 113.842 177.844 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.595 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 1.1 p -156.62 144.96 14.45 Favored Pre-proline 0 N--CA 1.472 0.64 0 CA-C-N 116.229 -0.441 . . . . 50.0 110.563 177.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.35 -173.82 0.88 Allowed 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.784 2.323 . . . . 50.0 111.898 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.484 ' CE1' ' CE1' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -82.92 129.22 34.99 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.55 0.69 . . . . 50.0 111.098 -179.315 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.732 ' C ' ' H ' ' A' ' 20' ' ' SER . 88.5 m-20 -140.98 117.33 10.73 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.694 -1.139 . . . . 50.0 109.269 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -57.05 4.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.072 -0.714 . . . . 50.0 109.072 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.732 ' H ' ' C ' ' A' ' 18' ' ' ASP . 69.4 m -98.55 -4.03 35.08 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 107.835 -1.172 . . . . 50.0 107.835 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.834 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 1.2 tptm -124.28 130.89 53.3 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 113.702 -1.59 . . . . 50.0 107.202 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -111.04 132.99 53.77 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-O 121.813 0.816 . . . . 16.66 110.888 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 7.1 m-85 -110.22 176.54 5.01 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 124.369 2.033 . . . . 50.0 115.74 -176.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.021 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -149.55 129.76 4.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 109.092 -3.685 . . . . 16.66 106.866 178.56 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.5 126.58 8.07 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 120.885 -0.674 . . . . 16.66 113.671 -177.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 1.351 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 2.2 t -54.39 110.51 0.63 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.777 0.831 . . . . 16.66 109.858 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.536 ' OD2' ' NH1' ' A' ' 28' ' ' ARG . 65.7 t0 -48.98 -43.28 39.88 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 120.602 -0.439 . . . . 25.0 111.993 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.825 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -113.46 -15.95 12.51 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 119.89 -0.724 . . . . 50.0 110.311 178.69 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.351 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -80.85 -28.31 36.15 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 118.724 -1.191 . . . . 16.66 108.023 178.109 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.678 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.6 OUTLIER 80.79 8.07 1.25 Allowed 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 115.83 1.789 . . . . 16.66 115.83 176.115 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.8 p30 -135.86 173.23 11.94 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 120.799 1.636 . . . . 50.0 114.517 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.413 ' HA ' ' O ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -101.6 147.03 26.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 116.851 2.167 . . . . 16.66 116.851 -174.793 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.721 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -139.21 154.77 48.08 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.026 -1.443 . . . . 50.0 108.684 171.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.9 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -73.97 135.93 43.21 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 105.826 -1.916 . . . . 16.66 105.826 176.163 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.518 ' HA3' HG22 ' A' ' 40' ' ' ILE . . . -42.85 -59.01 3.42 Favored Glycine 0 C--N 1.305 -1.171 0 C-N-CA 119.686 -1.245 . . . . 16.66 112.299 -177.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -64.09 -33.07 74.92 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.401 0.62 . . . . 50.0 110.048 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 1.231 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 48.1 t -55.57 -16.28 3.8 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.024 -0.989 . . . . 16.66 109.509 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.572 HG12 ' CD1' ' A' ' 12' ' ' ILE . 1.3 m -129.38 8.68 2.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 115.73 -0.668 . . . . 16.66 110.367 177.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.03 48.11 10.33 Favored Glycine 0 C--N 1.337 0.605 0 CA-C-N 115.968 -0.56 . . . . 16.66 113.19 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.518 HG22 ' HA3' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -113.22 167.11 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 120.032 -0.667 . . . . 16.66 111.107 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.563 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.3 mp -62.1 165.33 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.765 -0.652 . . . . 50.0 110.152 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -77.9 -55.2 5.5 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.741 -0.663 . . . . 25.0 110.393 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.564 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 53.3 m -70.85 -15.33 62.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.599 -0.728 . . . . 50.0 109.335 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.746 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -41.62 -21.09 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.229 -0.896 . . . . 50.0 111.178 -178.575 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.716 ' O ' HG21 ' B' ' 3' ' ' THR . . . -67.08 -53.58 29.66 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 120.419 -0.512 . . . . 25.0 111.088 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -86.84 -40.02 15.31 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.665 1.357 . . . . 50.0 114.665 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.027 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -56.32 -24.68 45.24 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.272 0.842 . . . . 16.66 113.272 -176.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.027 ' N ' HD12 ' A' ' 47' ' ' LEU . 1.4 pp -85.42 171.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.856 0.836 . . . . 25.0 110.394 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 49' ' ' ASP . 33.5 t0 -164.15 13.83 0.05 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.156 -1.384 . . . . 50.0 108.532 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -159.69 35.23 0.19 Allowed 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 113.467 -1.697 . . . . 50.0 106.426 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.751 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 14.8 t80 -66.37 148.57 51.68 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 114.851 -1.068 . . . . 16.66 110.842 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.751 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 21.3 t -137.53 158.88 34.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 113.482 -1.69 . . . . 50.0 109.661 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.03 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 5.3 p -76.72 160.86 75.95 Favored Pre-proline 0 N--CA 1.411 -2.394 0 N-CA-C 109.197 -0.668 . . . . 16.66 109.197 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.539 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 33.5 Cg_endo -78.63 -32.91 1.91 Allowed 'Trans proline' 0 C--N 1.272 -3.468 0 C-N-CA 121.44 1.427 . . . . 16.66 110.191 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -68.11 -36.99 80.64 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.144 -0.687 . . . . 50.0 109.144 176.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 1.129 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.339 0.139 0 N-CA-C 109.859 -0.423 . . . . 16.66 109.859 179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.694 ' NH2' ' O ' ' A' ' 26' ' ' CYS . 61.8 mtm-85 . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 120.52 0.2 . . . . 0.0 111.41 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.716 HG21 ' O ' ' A' ' 45' ' ' ALA . 26.5 m . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.649 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 6.1 m-85 . . . . . 0 N--CA 1.449 -0.514 0 CA-C-O 121.948 0.88 . . . . 25.0 109.836 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 1.079 ' SG ' ' CB ' ' A' ' 13' ' ' CYS . 20.0 t -36.86 125.54 0.89 Allowed 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 113.677 -1.601 . . . . 16.66 112.169 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.783 HG23 ' CD1' ' A' ' 33' ' ' TYR . 19.6 pt -53.64 -6.81 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 N-CA-C 107.183 -1.414 . . . . 50.0 107.183 178.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.079 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -88.0 -16.41 33.78 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 113.474 -1.694 . . . . 16.66 110.991 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 61.1 mttm 80.73 79.44 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.762 0.653 . . . . 25.0 112.762 178.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -150.86 145.66 18.48 Favored Pre-proline 0 CA--C 1.538 0.497 0 C-N-CA 120.736 -0.385 . . . . 50.0 111.581 179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.82 170.68 19.49 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 123.178 2.585 . . . . 50.0 111.654 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.649 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -74.16 129.44 37.83 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 121.67 0.748 . . . . 50.0 111.35 -178.684 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.722 ' C ' ' H ' ' A' ' 20' ' ' SER . 77.3 m-20 -140.69 119.77 12.81 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.377 -1.283 . . . . 50.0 109.073 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.67 3.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.283 0.563 . . . . 50.0 109.541 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.722 ' H ' ' C ' ' A' ' 18' ' ' ASP . 55.9 m -95.27 -28.07 15.18 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 107.998 -1.112 . . . . 50.0 107.998 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.644 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -90.18 131.6 35.93 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.129 -1.396 . . . . 50.0 107.84 178.193 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.466 ' CE1' ' NE2' ' A' ' 42' ' ' GLN . 18.0 p90 -106.11 138.16 42.78 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.932 -0.766 . . . . 16.66 108.932 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.644 ' CZ ' ' HB3' ' A' ' 21' ' ' LYS . 88.6 m-85 -116.99 169.66 9.24 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 117.142 2.275 . . . . 50.0 117.142 -174.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.026 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -143.22 128.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 CA-C-N 109.261 -3.609 . . . . 16.66 106.353 176.208 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.584 ' H ' ' HA ' ' B' ' 3' ' ' THR . . . -96.26 125.39 8.41 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 120.537 -0.84 . . . . 16.66 113.306 -177.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 1.3 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 1.2 t -47.53 119.68 2.86 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.769 -0.716 . . . . 16.66 109.677 178.018 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.712 ' HB2' HG22 ' A' ' 52' ' ' VAL . 58.6 t0 -53.46 -41.83 66.57 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.363 -0.535 . . . . 25.0 110.565 -179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.52 -17.33 11.74 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 120.459 -0.496 . . . . 50.0 110.971 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.3 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -90.19 0.85 56.99 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 108.575 -0.898 . . . . 16.66 108.575 179.035 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.621 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 5.0 pt20 31.94 36.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 113.94 -1.482 . . . . 16.66 113.982 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.597 ' OD1' ' OH ' ' A' ' 33' ' ' TYR . 16.6 p30 -135.18 171.2 14.77 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 119.975 -0.69 . . . . 50.0 111.302 177.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.507 ' O ' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -119.92 153.0 36.54 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 117.393 2.368 . . . . 16.66 117.393 -173.137 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.783 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -142.07 159.75 41.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 113.507 -1.679 . . . . 50.0 110.25 174.727 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.783 ' CE1' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -67.31 146.45 54.1 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 104.025 -2.583 . . . . 16.66 104.025 174.901 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.548 ' C ' HG22 ' A' ' 40' ' ' ILE . . . -45.95 -51.42 10.9 Favored Glycine 0 C--N 1.304 -1.225 0 C-N-CA 118.791 -1.671 . . . . 16.66 110.728 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' H ' ' HG3' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -75.39 -18.69 59.88 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 120.763 -0.375 . . . . 50.0 110.18 179.563 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 1.065 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 3.0 t -49.84 -29.64 8.39 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.393 -0.966 . . . . 16.66 108.393 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.2 m -115.97 15.33 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.79 -1.095 . . . . 16.66 110.612 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.49 46.27 33.31 Favored Glycine 0 N--CA 1.462 0.432 0 CA-C-N 115.705 -0.68 . . . . 16.66 112.366 178.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.548 HG22 ' C ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -120.39 168.09 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.086 0.469 . . . . 16.66 111.468 -179.443 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.502 ' N ' HG23 ' A' ' 40' ' ' ILE . 63.8 mt -61.07 165.87 3.97 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.613 -0.721 . . . . 50.0 110.402 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.466 ' NE2' ' CE1' ' A' ' 22' ' ' PHE . 8.3 tp60 -79.55 -55.9 4.7 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.415 -0.811 . . . . 25.0 110.976 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.584 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 72.7 m -67.61 -15.26 63.56 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.264 -0.88 . . . . 50.0 109.036 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.748 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -42.07 -19.94 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 115.29 -0.868 . . . . 50.0 110.288 -179.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.625 ' O ' HG21 ' B' ' 3' ' ' THR . . . -74.52 -45.04 48.31 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.905 -0.589 . . . . 25.0 110.626 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' SER . 46.8 tp10 -86.95 -45.71 10.54 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.839 1.052 . . . . 50.0 113.839 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.0 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.5 pp -55.83 -25.3 41.11 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.392 0.516 . . . . 16.66 112.392 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.0 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -86.17 172.66 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.703 0.763 . . . . 25.0 110.398 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -161.9 25.73 0.12 Allowed 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.294 -1.321 . . . . 50.0 109.213 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -170.29 39.22 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 106.574 -1.639 . . . . 50.0 106.574 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.741 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 29.9 t80 -66.0 147.15 53.8 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.813 -1.085 . . . . 16.66 111.528 -178.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.741 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 23.8 t -136.15 159.53 38.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 113.594 -1.639 . . . . 50.0 109.445 178.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.153 ' SG ' ' CB ' ' A' ' 56' ' ' CYS . 2.3 p -80.45 161.26 65.26 Favored Pre-proline 0 N--CA 1.417 -2.076 0 N-CA-C 109.344 -0.613 . . . . 16.66 109.344 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 15.9 Cg_endo -82.21 -29.74 1.46 Allowed 'Trans proline' 0 C--N 1.277 -3.19 0 C-N-CA 121.956 1.77 . . . . 16.66 112.396 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -83.05 -18.34 40.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.003 -1.11 . . . . 50.0 108.003 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 1.153 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 91.9 m . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 114.185 -1.371 . . . . 16.66 111.156 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.617 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 3.4 ttm-85 . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.818 0.342 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.625 HG21 ' O ' ' A' ' 45' ' ' ALA . 5.7 m . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 16.3 m-85 . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 121.292 0.568 . . . . 25.0 111.622 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.955 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 14.7 t -35.61 135.04 0.29 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.207 -0.906 . . . . 16.66 112.299 -178.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.727 HG23 ' CD1' ' A' ' 33' ' ' TYR . 19.1 pt -52.01 -7.34 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 113.879 -1.509 . . . . 50.0 107.984 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -86.2 -22.39 26.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 113.403 -1.726 . . . . 16.66 110.928 -179.497 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.583 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 95.3 mttt 82.53 78.87 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.943 0.349 . . . . 25.0 111.943 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.578 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 60.7 p -149.31 147.89 24.82 Favored Pre-proline 0 N--CA 1.468 0.453 0 CA-C-O 120.686 0.279 . . . . 50.0 111.285 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.7 -179.57 3.87 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.935 2.423 . . . . 50.0 111.68 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.54 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -83.49 130.32 35.01 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 121.516 0.674 . . . . 50.0 111.027 -179.148 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.727 ' C ' ' H ' ' A' ' 20' ' ' SER . 86.4 m-20 -140.75 119.83 12.81 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 114.648 -1.16 . . . . 50.0 109.38 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.55 8.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.34 0.59 . . . . 50.0 109.562 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.727 ' H ' ' C ' ' A' ' 18' ' ' ASP . 32.1 m -100.73 -21.43 15.2 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.694 -1.224 . . . . 50.0 107.694 178.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.749 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 2.8 tppt? -100.21 129.56 46.24 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 113.527 -1.67 . . . . 50.0 106.713 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 24.3 p90 -104.52 148.54 26.37 Favored 'General case' 0 CA--C 1.493 -1.214 0 C-N-CA 119.618 -0.833 . . . . 16.66 109.295 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.43 ' CE1' ' CE1' ' A' ' 17' ' ' TYR . 94.7 m-85 -124.6 169.48 11.88 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 117.538 2.421 . . . . 50.0 117.538 -173.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.005 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -145.81 131.28 12.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.196 0 CA-C-N 109.13 -3.668 . . . . 16.66 106.286 176.376 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.503 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -97.87 126.23 8.8 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 120.47 -0.871 . . . . 16.66 114.269 -177.205 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 1.308 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER -52.08 113.32 0.98 Allowed 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.588 -1.264 . . . . 16.66 107.588 176.384 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.497 ' CG ' ' O ' ' A' ' 51' ' ' TYR . 83.1 m-20 -64.32 -40.6 96.23 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-O 121.678 0.752 . . . . 25.0 109.119 -179.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 -93.83 -37.25 11.85 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.315 -1.311 . . . . 50.0 110.761 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.308 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -78.41 -28.66 46.86 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 119.857 -0.737 . . . . 16.66 110.069 -179.722 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.755 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 78.03 16.79 1.33 Allowed 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.321 1.23 . . . . 16.66 114.321 177.875 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.427 ' H ' ' CB ' ' A' ' 26' ' ' CYS . 47.0 p30 -136.33 173.68 11.45 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 119.714 1.143 . . . . 50.0 113.451 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.478 ' HD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -113.21 150.9 31.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 117.563 2.431 . . . . 16.66 117.563 -173.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.727 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -141.06 163.33 33.27 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 113.478 -1.692 . . . . 50.0 109.261 172.613 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.749 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -73.91 139.5 45.0 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.202 -2.147 . . . . 16.66 105.202 176.375 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.531 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -41.65 -46.16 4.68 Favored Glycine 0 C--N 1.308 -0.987 0 C-N-CA 119.267 -1.445 . . . . 16.66 111.683 -177.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.481 ' C ' ' H ' ' A' ' 39' ' ' GLY . 1.7 ptm180 -80.31 -18.67 48.53 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.358 -0.537 . . . . 50.0 109.955 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.6 t -51.02 -28.5 10.21 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 119.272 -0.971 . . . . 16.66 108.719 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.5 m -117.79 12.84 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 114.677 -1.147 . . . . 16.66 110.459 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 71.35 46.64 40.38 Favored Glycine 0 N--CA 1.46 0.295 0 CA-C-N 115.679 -0.691 . . . . 16.66 111.957 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.531 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -114.99 168.33 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.121 0.486 . . . . 16.66 111.354 -179.459 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.521 ' N ' HG23 ' A' ' 40' ' ' ILE . 46.7 mt -60.94 164.45 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.573 -0.74 . . . . 50.0 110.042 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -78.54 -55.08 5.49 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.517 -0.765 . . . . 25.0 110.207 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.535 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 74.3 m -70.16 -14.72 62.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.221 -0.899 . . . . 50.0 109.377 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.746 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -41.58 -20.6 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.34 -0.846 . . . . 50.0 110.869 -178.714 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.788 ' O ' HG21 ' B' ' 3' ' ' THR . . . -75.26 -41.44 57.31 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 120.579 -0.448 . . . . 25.0 110.694 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 43' ' ' SER . 81.2 tt0 -87.66 -47.4 8.7 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.907 1.077 . . . . 50.0 113.907 -178.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.011 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -55.46 -26.13 40.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.515 0.561 . . . . 16.66 112.515 -177.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.011 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -86.14 172.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.527 0.679 . . . . 25.0 109.788 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 49' ' ' ASP . 47.0 t0 -154.02 0.46 0.22 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.653 -1.158 . . . . 50.0 109.707 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -147.98 44.8 1.08 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.197 -1.408 . . . . 50.0 107.197 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.644 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 21.6 t80 -66.49 142.57 57.5 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.951 -1.022 . . . . 16.66 111.175 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.644 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 14.8 t -133.02 158.85 43.37 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 113.606 -1.634 . . . . 50.0 108.159 177.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.003 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 6.7 p -80.25 161.0 66.73 Favored Pre-proline 0 N--CA 1.414 -2.227 0 CA-C-O 121.595 0.712 . . . . 16.66 109.997 -178.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.588 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 25.0 Cg_endo -79.14 -25.4 5.96 Favored 'Trans proline' 0 C--N 1.276 -3.244 0 C-N-CA 122.108 1.872 . . . . 16.66 110.657 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -74.57 -30.45 61.72 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.029 -0.987 . . . . 50.0 108.504 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-N 115.496 -0.775 . . . . 16.66 111.245 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.729 HH21 ' N ' ' A' ' 26' ' ' CYS . 21.9 mtm105 . . . . . 0 CA--C 1.52 -0.194 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.788 HG21 ' O ' ' A' ' 45' ' ' ALA . 18.0 m . . . . . 0 C--N 1.326 -0.429 0 C-N-CA 120.581 -0.447 . . . . 0.0 109.831 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.545 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 2.8 m-85 . . . . . 0 CA--C 1.535 0.366 0 CA-C-O 121.682 0.753 . . . . 25.0 112.461 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 1.02 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 2.3 t -34.52 124.74 0.52 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.429 -1.26 . . . . 16.66 113.568 -178.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.622 HG23 ' CD1' ' A' ' 33' ' ' TYR . 18.2 pt -55.8 -7.12 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 112.56 -2.109 . . . . 50.0 109.343 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.015 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -78.56 -17.33 56.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.676 -1.147 . . . . 16.66 110.679 -179.648 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.581 ' CG ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 90.11 36.84 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.531 0.52 . . . . 25.0 112.339 179.03 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.22 126.75 24.28 Favored Pre-proline 0 CA--C 1.542 0.651 0 O-C-N 122.216 -0.302 . . . . 50.0 110.852 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.91 -162.35 0.06 OUTLIER 'Trans proline' 0 N--CA 1.5 1.897 0 C-N-CA 122.531 2.154 . . . . 50.0 112.252 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.494 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -76.31 131.78 39.41 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.735 0.779 . . . . 50.0 111.622 -178.293 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.767 ' C ' ' H ' ' A' ' 20' ' ' SER . 75.7 m-20 -140.83 112.84 7.75 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.179 -1.373 . . . . 50.0 107.775 177.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -54.78 7.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.176 0.512 . . . . 50.0 110.15 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.767 ' H ' ' C ' ' A' ' 18' ' ' ASP . 3.6 t -106.9 -3.99 19.65 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.965 -1.124 . . . . 50.0 107.965 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.849 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -120.24 134.01 55.35 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 114.095 -1.412 . . . . 50.0 108.503 -179.886 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.462 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 35.6 p90 -110.8 137.07 48.91 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-O 121.77 0.795 . . . . 16.66 110.606 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 26.4 m-85 -113.88 174.48 5.91 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 116.395 1.998 . . . . 50.0 116.395 -176.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.046 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -144.56 135.14 20.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-N 109.468 -3.514 . . . . 16.66 107.058 177.712 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -95.79 126.52 8.81 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 120.755 -0.736 . . . . 16.66 113.775 -178.069 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 1.336 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 7.4 t -54.96 121.46 8.72 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.394 0.678 . . . . 16.66 109.564 177.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.693 ' HB2' HG22 ' A' ' 52' ' ' VAL . 57.6 t0 -54.58 -34.96 62.78 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.604 -0.438 . . . . 25.0 110.845 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.16 -37.22 5.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.269 -0.423 . . . . 50.0 110.75 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.336 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.16 -4.7 45.94 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.369 0.604 . . . . 16.66 110.203 -179.041 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 29' ' ' CYS . 3.8 pp0? 34.85 34.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.991 -1.004 . . . . 16.66 112.373 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.425 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 19.7 p30 -133.72 170.74 15.12 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 120.598 -0.441 . . . . 50.0 110.541 178.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.545 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -123.02 153.7 39.47 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 116.512 2.041 . . . . 16.66 116.512 -174.014 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.753 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -139.87 157.46 45.68 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 113.61 -1.632 . . . . 50.0 109.236 173.894 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 1.006 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -69.5 143.9 53.33 Favored 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 105.651 -1.981 . . . . 16.66 105.651 176.124 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.544 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.64 -55.71 4.51 Favored Glycine 0 C--N 1.309 -0.937 0 C-N-CA 119.553 -1.308 . . . . 16.66 111.78 -177.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.509 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -73.82 -19.25 60.8 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.741 -0.384 . . . . 50.0 110.02 179.565 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 1.02 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.7 t -50.26 -28.87 8.43 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.648 -0.871 . . . . 16.66 108.648 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.6 m -119.26 11.74 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.851 -1.068 . . . . 16.66 110.145 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 73.33 46.5 26.3 Favored Glycine 0 CA--C 1.518 0.237 0 CA-C-N 115.495 -0.775 . . . . 16.66 112.307 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.544 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -113.93 168.08 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.061 0.458 . . . . 16.66 111.025 -179.687 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.518 ' N ' HG23 ' A' ' 40' ' ' ILE . 33.7 mt -61.48 165.74 4.59 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.643 -0.708 . . . . 50.0 110.338 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -79.67 -55.93 4.66 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.459 -0.791 . . . . 25.0 110.966 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.629 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 74.7 m -67.35 -16.02 64.02 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.481 -0.781 . . . . 50.0 109.027 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.743 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -42.11 -20.47 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 115.435 -0.802 . . . . 50.0 110.377 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.811 ' O ' HG21 ' B' ' 3' ' ' THR . . . -72.09 -48.91 40.56 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.914 -0.585 . . . . 25.0 110.681 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 43' ' ' SER . 49.9 mt-10 -87.96 -43.06 12.04 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 114.441 1.274 . . . . 50.0 114.441 -178.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.048 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -55.43 -26.02 39.57 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.294 0.479 . . . . 16.66 112.294 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.048 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.2 pp -85.76 172.3 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.56 0.695 . . . . 25.0 109.95 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 49' ' ' ASP . 49.7 t0 -159.23 10.59 0.13 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.695 -1.139 . . . . 50.0 109.41 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -158.29 41.56 0.27 Allowed 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 106.337 -1.727 . . . . 50.0 106.337 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.692 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 27.8 t80 -66.19 146.89 54.11 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.556 -1.202 . . . . 16.66 111.383 -178.32 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.693 HG22 ' HB2' ' A' ' 27' ' ' ASP . 21.7 t -135.61 157.3 39.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.149 0 CA-C-N 113.549 -1.659 . . . . 50.0 109.025 178.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.311 ' CB ' ' HG ' ' A' ' 26' ' ' CYS . 1.8 p -79.06 161.96 66.33 Favored Pre-proline 0 N--CA 1.416 -2.145 0 N-CA-C 108.79 -0.818 . . . . 16.66 108.79 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.479 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 21.0 Cg_endo -82.87 -29.32 1.33 Allowed 'Trans proline' 0 C--N 1.276 -3.246 0 C-N-CA 121.721 1.614 . . . . 16.66 111.377 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -73.79 -30.36 62.7 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.537 -0.912 . . . . 50.0 108.537 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.963 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 10.6 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 114.949 -1.023 . . . . 16.66 109.665 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.6 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 37.6 mtm180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.79 0.328 . . . . 0.0 111.507 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.811 HG21 ' O ' ' A' ' 45' ' ' ALA . 18.9 m . . . . . 0 C--N 1.328 -0.337 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.509 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 1.5 m-85 . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 1.072 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 1.2 t -33.66 124.39 0.44 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.201 -1.363 . . . . 16.66 112.975 -178.13 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.711 HG23 ' CD1' ' A' ' 33' ' ' TYR . 20.2 pt -52.77 -6.99 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-N 112.385 -2.189 . . . . 50.0 109.153 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.042 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -83.12 -3.58 57.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.431 -1.259 . . . . 16.66 109.939 179.587 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 67.57 58.14 0.53 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.756 -0.657 . . . . 25.0 112.412 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 m -141.0 121.28 8.66 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 120.866 -0.334 . . . . 50.0 111.292 178.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -50.29 -174.43 0.01 OUTLIER 'Trans proline' 0 N--CA 1.502 1.978 0 C-N-CA 123.359 2.706 . . . . 50.0 113.366 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.509 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -78.9 131.27 36.34 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 121.48 0.657 . . . . 50.0 111.238 -179.296 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.727 ' C ' ' H ' ' A' ' 20' ' ' SER . 94.6 m-20 -141.56 117.02 10.2 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.618 -1.174 . . . . 50.0 108.457 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -53.52 4.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.17 0.509 . . . . 50.0 110.233 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.727 ' H ' ' C ' ' A' ' 18' ' ' ASP . 5.8 m -98.18 -12.79 21.34 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 107.972 -1.121 . . . . 50.0 107.972 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.853 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -111.99 134.67 53.4 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 113.852 -1.522 . . . . 50.0 108.69 179.629 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.46 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 49.0 p90 -112.18 128.87 56.36 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 122.067 0.936 . . . . 16.66 110.759 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 40.3 m-85 -104.26 174.76 5.73 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 116.3 1.963 . . . . 50.0 116.3 -175.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.986 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -149.51 128.49 3.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 109.482 -3.508 . . . . 16.66 106.571 177.765 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -88.49 122.29 6.3 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 114.75 0.66 . . . . 16.66 114.75 -177.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 1.458 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -49.48 113.38 0.81 Allowed 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.434 -1.691 . . . . 16.66 106.434 175.454 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.586 ' H ' ' HA ' ' A' ' 52' ' ' VAL . 64.2 t0 -62.83 -37.09 85.4 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 121.904 0.859 . . . . 25.0 108.997 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.6 ttt-85 -96.47 -40.94 8.83 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.09 -1.413 . . . . 50.0 110.569 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.313 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.1 -24.31 51.79 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 119.996 -0.682 . . . . 16.66 110.554 -178.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.755 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 68.29 25.03 7.23 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.04 0.755 . . . . 16.66 113.04 178.357 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.588 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 26.3 p30 -134.44 170.86 15.12 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 120.363 -0.535 . . . . 50.0 111.499 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.501 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -120.23 150.17 41.1 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 115.825 1.787 . . . . 16.66 115.825 -175.145 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.711 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -137.59 160.27 39.65 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.193 -1.367 . . . . 50.0 109.113 174.208 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.853 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -73.85 142.26 46.08 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 105.162 -2.162 . . . . 16.66 105.162 175.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.508 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.08 -53.66 4.68 Favored Glycine 0 C--N 1.306 -1.117 0 C-N-CA 119.648 -1.263 . . . . 16.66 112.117 -177.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.516 ' C ' ' H ' ' A' ' 39' ' ' GLY . 2.8 ptt180 -75.22 -20.4 59.27 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 120.575 -0.45 . . . . 50.0 110.054 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 1.072 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.8 t -51.43 -26.75 8.6 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 108.807 -0.812 . . . . 16.66 108.807 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.7 m -121.13 8.1 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.705 -1.134 . . . . 16.66 110.079 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.516 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 74.41 47.04 17.79 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-N 115.707 -0.679 . . . . 16.66 111.718 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.508 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -112.35 165.95 6.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.735 -0.386 . . . . 16.66 110.607 -179.335 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.871 ' N ' ' OE2' ' A' ' 44' ' ' GLU . 90.1 mt -59.17 164.57 3.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.298 0.57 . . . . 50.0 109.668 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -78.78 -55.5 5.12 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.317 -0.856 . . . . 25.0 110.618 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.61 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 73.8 m -70.78 -15.79 62.7 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.095 -0.957 . . . . 50.0 109.653 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.871 ' OE2' ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -42.98 -19.13 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.601 -0.727 . . . . 50.0 111.124 -178.158 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.709 ' O ' HG21 ' B' ' 3' ' ' THR . . . -71.15 -50.42 33.59 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.637 -0.425 . . . . 25.0 111.605 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.19 -41.12 13.98 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.235 1.198 . . . . 50.0 114.235 -178.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.037 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -56.27 -23.99 39.94 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.12 0.415 . . . . 16.66 112.12 -178.172 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.037 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.1 pp -85.7 171.54 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.417 0.627 . . . . 25.0 109.793 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -160.75 20.29 0.13 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.905 -1.043 . . . . 50.0 109.44 -178.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -169.93 39.61 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 106.05 -1.833 . . . . 50.0 106.05 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.666 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 28.2 t80 -66.15 143.06 57.52 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.454 -1.248 . . . . 16.66 111.487 -178.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.666 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 14.4 t -131.02 159.22 43.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 113.709 -1.587 . . . . 50.0 108.643 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.458 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 5.7 p -81.75 159.4 66.39 Favored Pre-proline 0 N--CA 1.413 -2.287 0 CA-C-O 121.252 0.549 . . . . 16.66 109.578 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.479 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 26.1 Cg_endo -81.8 -25.71 3.43 Favored 'Trans proline' 0 C--N 1.277 -3.188 0 C-N-CA 121.686 1.59 . . . . 16.66 109.754 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -69.2 -36.45 77.29 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.395 -1.335 . . . . 50.0 107.395 176.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.231 0 CA-C-N 115.112 -0.949 . . . . 16.66 109.661 178.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.551 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 75.4 mtm-85 . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.562 0.22 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.709 HG21 ' O ' ' A' ' 45' ' ' ALA . 15.1 m . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.528 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 17.4 m-85 . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 121.139 0.495 . . . . 25.0 111.418 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.977 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 7.1 t -37.17 137.0 0.39 Allowed 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 122.02 0.914 . . . . 16.66 112.325 -178.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.846 HG23 ' CD2' ' A' ' 33' ' ' TYR . 23.6 pt -52.1 -6.53 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.754 -1.566 . . . . 50.0 107.997 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -87.18 -22.33 25.36 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 113.552 -1.658 . . . . 16.66 110.826 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 31.4 mttm 82.93 78.99 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.289 0.478 . . . . 25.0 112.289 179.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.77 158.08 40.07 Favored Pre-proline 0 N--CA 1.47 0.561 0 CA-C-O 120.799 0.333 . . . . 50.0 111.7 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.39 179.12 6.79 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 123.232 2.621 . . . . 50.0 111.991 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.528 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -82.52 131.6 35.21 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 121.466 0.65 . . . . 50.0 110.835 -179.551 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.719 ' C ' ' H ' ' A' ' 20' ' ' SER . 95.7 m-20 -140.38 118.91 12.25 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 114.844 -1.071 . . . . 50.0 109.055 178.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -58.88 8.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.366 0.603 . . . . 50.0 109.528 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.719 ' H ' ' C ' ' A' ' 18' ' ' ASP . 13.7 m -103.24 -10.41 18.77 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.77 -1.196 . . . . 50.0 107.77 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.827 ' NZ ' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -115.47 129.48 56.57 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 113.487 -1.688 . . . . 50.0 106.447 179.047 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -108.76 147.22 32.34 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 119.506 -0.878 . . . . 16.66 108.958 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 43.7 m-85 -122.9 173.08 8.01 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.916 2.191 . . . . 50.0 116.916 -174.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.068 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -145.1 128.52 11.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-N 108.899 -3.773 . . . . 16.66 106.907 176.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.408 ' H ' ' HA ' ' B' ' 3' ' ' THR . . . -91.29 121.19 6.22 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 121.242 -0.504 . . . . 16.66 114.277 -176.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 1.461 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.7 OUTLIER -47.67 107.85 0.14 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.344 -0.984 . . . . 16.66 108.344 176.615 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.63 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 88.1 m-20 -65.08 -33.63 76.49 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.381 0.61 . . . . 25.0 109.708 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.73 -24.37 15.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.174 -0.921 . . . . 50.0 110.394 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.288 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -96.27 -29.66 13.88 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 120.132 -0.627 . . . . 16.66 110.391 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.773 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER 82.02 16.12 0.45 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.173 1.175 . . . . 16.66 114.173 178.133 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.509 ' OD1' ' CE2' ' A' ' 33' ' ' TYR . 4.3 p30 -135.92 173.04 12.15 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 119.613 1.097 . . . . 50.0 112.606 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.517 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -114.77 152.11 32.64 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 117.31 2.337 . . . . 16.66 117.31 -174.332 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.846 ' CD2' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -141.01 161.42 37.89 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-N 114.169 -1.378 . . . . 50.0 109.005 172.865 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.827 ' CD2' ' NZ ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -76.66 133.19 39.65 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 106.845 -1.539 . . . . 16.66 106.845 177.46 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.801 ' HA3' HG22 ' A' ' 40' ' ' ILE . . . -41.14 -38.63 1.87 Allowed Glycine 0 C--N 1.304 -1.196 0 C-N-CA 119.724 -1.227 . . . . 16.66 110.373 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.613 ' H ' ' HD2' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -67.62 -34.28 76.66 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 108.798 -0.816 . . . . 50.0 108.798 177.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 1.7 t -69.09 -49.7 54.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.381 -1.282 . . . . 16.66 110.712 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -81.92 -22.39 9.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 114.25 -1.341 . . . . 16.66 109.85 -179.796 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 86.11 44.64 5.9 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 109.693 -1.363 . . . . 16.66 109.693 -178.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.801 HG22 ' HA3' ' A' ' 35' ' ' GLY . 2.0 tp -106.6 164.12 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-O 121.2 0.524 . . . . 16.66 111.588 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.769 ' O ' HG23 ' A' ' 40' ' ' ILE . 78.8 mt -63.52 166.78 6.27 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.126 -0.943 . . . . 50.0 108.937 177.233 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -77.74 -54.93 5.77 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 120.03 -0.668 . . . . 25.0 111.114 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.457 ' C ' ' N ' ' A' ' 45' ' ' ALA . 50.7 m -70.17 -16.66 63.11 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.347 -0.842 . . . . 50.0 110.127 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.844 ' HA ' HD11 ' A' ' 47' ' ' LEU . 2.8 mt-10 -45.62 -18.3 0.04 OUTLIER 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.432 -0.507 . . . . 50.0 110.994 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.921 ' O ' HG21 ' B' ' 3' ' ' THR . . . -56.0 -58.65 7.01 Favored 'General case' 0 C--N 1.309 -1.175 0 C-N-CA 120.169 -0.612 . . . . 25.0 110.955 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -89.48 -42.64 11.35 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.776 1.769 . . . . 50.0 115.776 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.88 HD12 ' N ' ' A' ' 48' ' ' ILE . 3.3 pp -55.08 -28.45 52.5 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.661 1.356 . . . . 16.66 114.661 -175.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.88 ' N ' HD12 ' A' ' 47' ' ' LEU . 1.7 pp -85.3 172.52 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-O 121.726 0.774 . . . . 25.0 110.07 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -159.0 6.92 0.11 Allowed 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.391 -1.277 . . . . 50.0 109.373 -179.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -147.97 34.28 0.83 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.157 -1.383 . . . . 50.0 107.387 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.68 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 5.7 t80 -66.0 147.08 53.91 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 115.226 -0.897 . . . . 16.66 109.787 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.68 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 21.6 t -134.79 155.92 39.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-N 114.569 -1.196 . . . . 50.0 109.576 178.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.461 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 5.9 p -76.9 157.56 81.51 Favored Pre-proline 0 N--CA 1.415 -2.216 0 CA-C-O 121.454 0.645 . . . . 16.66 110.046 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 27.4 Cg_endo -79.35 -27.78 4.08 Favored 'Trans proline' 0 C--N 1.276 -3.237 0 C-N-CA 121.921 1.747 . . . . 16.66 110.738 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -72.18 -32.58 66.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.107 -1.071 . . . . 50.0 108.107 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 1.138 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 3.5 m . . . . . 0 N--CA 1.455 -0.183 0 CA-C-N 114.777 -1.101 . . . . 16.66 110.573 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.63 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 85.0 mtm-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.706 0.288 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.921 HG21 ' O ' ' A' ' 45' ' ' ALA . 24.5 m . . . . . 0 C--N 1.326 -0.42 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.55 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 14.8 m-85 . . . . . 0 CA--C 1.534 0.344 0 CA-C-O 121.825 0.822 . . . . 25.0 111.686 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 1.141 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -34.37 128.85 0.41 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.323 -1.308 . . . . 16.66 112.498 -178.665 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.793 HG23 ' CD2' ' A' ' 33' ' ' TYR . 27.6 pt -50.14 -6.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 113.121 -1.854 . . . . 50.0 109.201 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.035 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -87.8 -3.72 58.93 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.668 -1.151 . . . . 16.66 110.79 -179.853 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 43.1 mttp 69.41 79.22 0.2 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -160.67 143.42 9.67 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 120.79 -0.364 . . . . 50.0 111.222 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.49 -170.05 0.54 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.648 2.232 . . . . 50.0 111.051 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.55 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -82.79 129.6 35.01 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.598 0.713 . . . . 50.0 111.195 -179.175 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.742 ' C ' ' H ' ' A' ' 20' ' ' SER . 80.9 m-20 -140.47 115.14 9.51 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.485 -1.234 . . . . 50.0 108.939 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -56.6 6.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.311 0.577 . . . . 50.0 109.683 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.742 ' H ' ' C ' ' A' ' 18' ' ' ASP . 55.9 m -100.63 -5.64 26.37 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.517 -1.29 . . . . 50.0 107.517 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.736 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 1.4 tptp -123.99 130.49 52.66 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 113.13 -1.85 . . . . 50.0 106.858 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 46.6 p90 -112.12 132.05 55.09 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 122.051 0.929 . . . . 16.66 111.05 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.608 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 26.1 m-85 -108.05 174.87 5.69 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 116.76 2.134 . . . . 50.0 116.76 -175.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.02 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -148.02 137.07 15.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 CA-C-N 108.894 -3.775 . . . . 16.66 105.972 177.634 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.09 124.27 8.19 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 120.252 -0.975 . . . . 16.66 114.889 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 1.266 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -47.86 122.18 4.78 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.65 0.78 . . . . 16.66 109.433 176.753 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.546 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 76.1 m-20 -58.17 -38.55 76.88 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.007 -0.677 . . . . 25.0 111.078 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.577 ' H ' ' HD3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -112.51 -30.08 7.26 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 120.977 -0.289 . . . . 50.0 110.611 179.523 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.266 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -71.14 -21.85 62.14 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 108.38 -0.97 . . . . 16.66 108.38 179.002 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.704 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 65.26 16.12 10.37 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.671 1.36 . . . . 16.66 114.671 177.228 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -135.01 173.28 11.9 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 114.299 1.222 . . . . 50.0 114.299 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.498 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -108.11 145.88 33.45 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 117.621 2.452 . . . . 16.66 117.621 -173.47 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.793 ' CD2' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -138.55 155.23 48.56 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.129 -1.851 . . . . 50.0 108.599 172.676 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.898 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 1.4 m80 -69.46 141.44 54.0 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 105.891 -1.892 . . . . 16.66 105.891 177.146 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.483 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.91 -45.48 5.92 Favored Glycine 0 C--N 1.308 -0.992 0 C-N-CA 119.61 -1.281 . . . . 16.66 111.417 -178.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.456 ' HG3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -81.25 -19.92 42.08 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.317 -0.623 . . . . 50.0 109.317 178.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 1.141 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER -51.84 -25.07 7.05 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.702 -0.851 . . . . 16.66 108.702 179.51 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.27 11.07 4.36 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 CA-C-N 115.206 -0.907 . . . . 16.66 110.829 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.36 47.06 30.65 Favored Glycine 0 N--CA 1.465 0.574 0 C-N-CA 121.182 -0.533 . . . . 16.66 112.768 178.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.483 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -111.08 165.8 6.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 121.159 -0.216 . . . . 16.66 110.682 -179.471 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 9.1 mp -60.34 165.45 3.58 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.407 0.623 . . . . 50.0 110.046 178.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -78.58 -56.99 4.0 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.085 -0.961 . . . . 25.0 110.861 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.547 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 15.7 t -70.47 -16.0 62.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.58 -0.736 . . . . 50.0 109.212 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.757 ' HA ' HD11 ' A' ' 47' ' ' LEU . 2.7 tt0 -43.37 -18.76 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.3 -0.864 . . . . 50.0 111.408 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.83 ' O ' HG21 ' B' ' 3' ' ' THR . . . -68.51 -50.86 48.94 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 120.417 -0.513 . . . . 25.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -86.61 -43.07 12.94 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.154 1.168 . . . . 50.0 114.154 -178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 1.104 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.1 pp -55.28 -25.1 31.82 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.204 0.446 . . . . 16.66 112.204 -177.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 1.104 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -84.92 172.13 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 120.247 -0.581 . . . . 25.0 109.438 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -156.72 12.72 0.26 Allowed 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.101 -0.954 . . . . 50.0 109.453 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -164.81 43.95 0.09 Allowed 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 106.151 -1.796 . . . . 50.0 106.151 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.811 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 8.6 t80 -65.62 148.29 51.99 Favored 'General case' 0 CA--C 1.498 -1.056 0 CA-C-N 114.818 -1.083 . . . . 16.66 110.55 -178.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.811 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 38.2 t -131.2 158.68 43.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-N 114.103 -1.408 . . . . 50.0 110.648 179.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.135 ' SG ' ' CB ' ' A' ' 56' ' ' CYS . 3.0 p -78.67 161.02 70.87 Favored Pre-proline 0 N--CA 1.415 -2.183 0 N-CA-C 109.15 -0.685 . . . . 16.66 109.15 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.536 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 38.4 Cg_endo -77.11 -37.21 1.13 Allowed 'Trans proline' 0 C--N 1.273 -3.403 0 C-N-CA 121.427 1.418 . . . . 16.66 111.508 -178.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -69.07 -29.77 67.96 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.007 -1.109 . . . . 50.0 108.007 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 62.3 m . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 114.188 -1.369 . . . . 16.66 111.186 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.546 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 35.8 mtm180 . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.807 0.337 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.83 HG21 ' O ' ' A' ' 45' ' ' ALA . 18.3 m . . . . . 0 C--N 1.327 -0.382 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.151 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 19.8 m-85 . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 121.175 0.512 . . . . 25.0 111.371 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.949 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 12.4 t -35.94 137.66 0.22 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.92 0.867 . . . . 16.66 112.396 -178.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.671 HG23 ' CD1' ' A' ' 33' ' ' TYR . 14.2 pt -51.96 -7.17 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 113.834 -1.53 . . . . 50.0 107.609 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -87.43 -20.1 27.11 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 113.187 -1.824 . . . . 16.66 110.818 -179.504 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 61.9 mttp 76.97 79.52 0.08 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.592 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 39.0 p -148.26 148.73 30.03 Favored Pre-proline 0 N--CA 1.468 0.454 0 CA-C-O 120.755 0.312 . . . . 50.0 111.459 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.27 170.08 19.16 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 123.049 2.499 . . . . 50.0 111.773 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.558 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 1.0 OUTLIER -75.01 130.52 39.49 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 121.562 0.696 . . . . 50.0 111.185 -179.097 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.648 ' C ' ' H ' ' A' ' 20' ' ' SER . 99.5 m-20 -140.96 129.17 22.21 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.622 -1.172 . . . . 50.0 109.116 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 19' ' ' GLU . 23.1 mp0 -66.07 8.75 0.18 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.934 -0.765 . . . . 50.0 108.934 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.648 ' H ' ' C ' ' A' ' 18' ' ' ASP . 38.5 m -100.7 -20.07 15.77 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.45 -1.315 . . . . 50.0 107.45 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.79 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -105.51 129.77 53.72 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 106.367 -1.716 . . . . 50.0 106.367 178.305 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.466 ' HD2' ' HB2' ' A' ' 45' ' ' ALA . 51.3 p90 -106.25 149.59 26.74 Favored 'General case' 0 CA--C 1.496 -1.105 0 C-N-CA 119.34 -0.944 . . . . 16.66 109.291 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.516 ' CE1' ' CE1' ' A' ' 17' ' ' TYR . 87.8 m-85 -123.51 167.84 13.37 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 117.308 2.336 . . . . 50.0 117.308 -173.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 1.007 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.3 128.02 7.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 CA-C-N 109.264 -3.607 . . . . 16.66 106.557 176.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -92.01 126.05 8.34 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 120.743 -0.741 . . . . 16.66 114.12 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 1.446 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 2.0 t -48.35 108.43 0.17 Allowed 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.993 -1.114 . . . . 16.66 107.993 176.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.511 ' CB ' HG22 ' A' ' 52' ' ' VAL . 22.4 t70 -50.14 -38.16 37.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.434 -0.506 . . . . 25.0 110.499 -178.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.536 ' C ' HE21 ' A' ' 30' ' ' GLN . 0.1 OUTLIER -103.93 -37.03 7.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.04 -0.527 . . . . 50.0 110.574 179.495 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 1.341 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.32 -8.88 58.36 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.991 0.424 . . . . 16.66 110.858 -178.366 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.561 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 10.4 mm-40 48.95 29.83 2.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.756 -0.656 . . . . 16.66 112.544 178.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.63 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 19.9 p30 -134.74 169.15 17.78 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 119.59 -0.844 . . . . 50.0 111.207 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.506 ' HD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -120.69 151.19 39.83 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 116.825 2.158 . . . . 16.66 116.825 -173.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.671 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -140.16 166.99 23.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.855 -1.52 . . . . 50.0 109.553 173.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.79 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -75.73 137.53 40.67 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 105.525 -2.028 . . . . 16.66 105.525 176.071 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.589 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.04 -40.61 3.37 Favored Glycine 0 C--N 1.304 -1.239 0 C-N-CA 119.454 -1.355 . . . . 16.66 112.166 -177.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -81.71 -21.87 37.73 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.208 -0.664 . . . . 50.0 109.208 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 4.6 t -52.31 -25.89 10.74 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 108.659 -0.867 . . . . 16.66 108.659 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.1 m -121.23 12.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 114.629 -1.168 . . . . 16.66 110.166 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 70.52 47.34 42.77 Favored Glycine 0 N--CA 1.462 0.408 0 CA-C-N 115.665 -0.698 . . . . 16.66 112.376 178.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.589 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -116.73 169.14 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.14 0.495 . . . . 16.66 111.691 -179.084 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.521 ' N ' HG23 ' A' ' 40' ' ' ILE . 18.5 mt -60.51 166.38 3.18 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.388 -0.824 . . . . 50.0 111.074 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -78.52 -54.18 6.43 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.618 -1.174 . . . . 25.0 110.042 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 45' ' ' ALA . 24.8 m -70.85 -16.52 62.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.755 -1.111 . . . . 50.0 109.86 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.866 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.4 mm-40 -42.16 -17.0 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.872 -0.604 . . . . 50.0 110.698 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.891 ' O ' HG21 ' B' ' 3' ' ' THR . . . -82.53 -54.69 4.98 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.347 -0.388 . . . . 25.0 112.028 -179.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.559 ' C ' ' H ' ' A' ' 48' ' ' ILE . 55.3 mp0 -77.6 -51.48 10.58 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.659 0.985 . . . . 50.0 113.659 -177.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.866 HD11 ' HA ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -72.05 15.13 0.17 Allowed 'General case' 0 CA--C 1.494 -1.181 0 CA-C-O 121.054 0.454 . . . . 16.66 110.354 -179.352 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.822 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -112.08 149.8 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 CA-C-N 115.26 -0.882 . . . . 25.0 113.214 -176.061 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.74 ' H ' HD13 ' A' ' 48' ' ' ILE . 60.3 t0 -166.54 36.65 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.466 -1.243 . . . . 50.0 110.09 -178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.464 ' H ' HD12 ' A' ' 48' ' ' ILE . 23.1 pt-20 -168.96 11.11 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.995 -0.743 . . . . 50.0 108.995 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.604 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 5.8 t80 -68.97 147.46 51.58 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 115.535 -0.757 . . . . 16.66 111.005 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.604 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 39.3 t -134.07 159.9 42.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 114.79 -1.095 . . . . 50.0 108.811 177.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.446 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.5 p -78.64 155.07 78.64 Favored Pre-proline 0 N--CA 1.413 -2.29 0 CA-C-O 121.488 0.661 . . . . 16.66 109.672 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 41.4 Cg_endo -76.13 -30.5 5.57 Favored 'Trans proline' 0 C--N 1.277 -3.224 0 C-N-CA 121.839 1.693 . . . . 16.66 111.202 -178.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.529 ' OE1' HG22 ' A' ' 12' ' ' ILE . 44.3 mt-30 -69.26 -32.39 71.55 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.632 -1.247 . . . . 50.0 107.632 177.152 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 1.16 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 5.6 m . . . . . 0 N--CA 1.452 -0.362 0 CA-C-N 114.205 -1.361 . . . . 16.66 110.32 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.544 ' NH2' ' O ' ' A' ' 26' ' ' CYS . 10.6 ttp-105 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 121.078 0.466 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' THR . . . . . 0.891 HG21 ' O ' ' A' ' 45' ' ' ALA . 33.5 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.784 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -54.85 134.05 61.01 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.613 2.209 . . . . 0.0 111.929 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.7 mt -110.69 139.17 46.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.525 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.72 -80.82 1.52 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.715 -0.954 . . . . 50.0 110.715 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 m -129.79 144.2 51.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.706 0.289 . . . . 50.0 110.405 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -89.02 110.48 21.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 50.0 110.46 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.1 p -130.52 167.09 19.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.15 -0.477 . . . . 50.0 110.689 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -129.15 178.56 6.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.837 -0.62 . . . . 50.0 110.41 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.822 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -122.37 -175.2 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.815 -0.629 . . . . 50.0 110.681 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.788 ' N ' HD22 ' A' ' 9' ' ' LEU . 8.7 m-85 -67.33 -109.68 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 -178.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.99 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 43.1 t -36.39 134.21 0.46 Allowed 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.281 1.039 . . . . 16.66 113.045 -177.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.729 HG23 ' CD1' ' A' ' 33' ' ' TYR . 7.5 pt -59.91 -7.39 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 113.328 -1.76 . . . . 50.0 108.03 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.99 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -92.46 25.21 3.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 113.546 -1.661 . . . . 16.66 111.326 -178.734 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 13' ' ' CYS . 47.8 pttt 42.45 72.39 0.18 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.45 ' H ' ' CD2' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -151.95 123.57 3.81 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 116.227 -0.442 . . . . 50.0 110.409 178.542 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 7.7 Cg_exo -69.55 177.18 5.69 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 122.288 1.992 . . . . 50.0 111.955 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.766 ' CE1' HM33 ' B' ' 4' ' ' M3L . 0.6 OUTLIER -61.85 133.28 55.27 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.663 0.745 . . . . 50.0 111.231 -179.123 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.761 ' C ' ' H ' ' A' ' 20' ' ' SER . 77.5 m-20 -141.24 114.26 8.54 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 114.433 -1.258 . . . . 50.0 107.768 177.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.15 7.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.145 0.498 . . . . 50.0 110.246 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.761 ' H ' ' C ' ' A' ' 18' ' ' ASP . 2.6 t -105.82 -7.34 18.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.872 -1.159 . . . . 50.0 107.872 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.69 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 3.7 tptp -115.26 131.76 56.83 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 113.923 -1.489 . . . . 50.0 108.142 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 46.6 p90 -109.68 141.29 42.47 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.127 -0.694 . . . . 16.66 109.127 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.902 ' CG ' HM12 ' B' ' 4' ' ' M3L . 24.2 m-85 -116.8 175.74 5.44 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 116.532 2.049 . . . . 50.0 116.532 -175.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.0 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.98 128.86 6.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-N 109.161 -3.654 . . . . 16.66 106.464 177.564 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -88.46 126.29 8.06 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 120.955 -0.641 . . . . 16.66 114.201 -177.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.423 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.7 t -47.72 113.23 0.67 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.97 -1.492 . . . . 16.66 106.97 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.629 ' HB3' HG22 ' A' ' 52' ' ' VAL . 22.1 t70 -63.13 -35.43 80.25 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.647 0.737 . . . . 25.0 109.617 -178.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -102.51 -27.28 12.87 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 114.555 -1.202 . . . . 50.0 110.563 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.327 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -89.45 -28.12 19.92 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 119.751 -0.78 . . . . 16.66 110.397 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.792 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER 74.08 25.65 1.8 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.773 0.657 . . . . 16.66 112.773 178.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.617 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 25.6 p30 -133.58 169.71 16.6 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 121.749 -0.594 . . . . 50.0 111.353 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.816 ' CB ' HM13 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -118.09 149.22 41.37 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 116.59 2.07 . . . . 16.66 116.59 -174.377 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.729 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -140.46 165.18 28.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 113.936 -1.484 . . . . 50.0 108.606 173.58 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.69 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -71.68 143.37 49.72 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 106.501 -1.666 . . . . 16.66 106.501 176.4 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.31 -49.66 5.57 Favored Glycine 0 C--N 1.307 -1.052 0 C-N-CA 119.72 -1.229 . . . . 16.66 111.517 -178.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.497 ' C ' ' H ' ' A' ' 39' ' ' GLY . 3.1 ptt180 -76.41 -20.41 57.13 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.033 0.444 . . . . 50.0 109.912 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.943 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 4.5 t -50.95 -28.05 8.94 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.722 -0.844 . . . . 16.66 108.722 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.6 m -117.2 13.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 114.828 -1.078 . . . . 16.66 110.104 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.02 46.71 34.87 Favored Glycine 0 CA--C 1.52 0.4 0 CA-C-N 115.311 -0.859 . . . . 16.66 112.37 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.502 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -114.79 168.04 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.169 0.509 . . . . 16.66 111.303 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.491 ' N ' HG23 ' A' ' 40' ' ' ILE . 29.8 mt -62.01 166.01 5.03 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.344 -0.844 . . . . 50.0 110.934 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -79.29 -55.33 5.16 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.113 -0.949 . . . . 25.0 110.762 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 46' ' ' GLU . 47.2 t -66.18 -16.96 64.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.39 -0.823 . . . . 50.0 109.344 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 1.048 ' O ' ' HB ' ' A' ' 48' ' ' ILE . 1.1 mm-40 -44.2 -19.76 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.386 -0.824 . . . . 50.0 110.548 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.905 ' O ' HG21 ' B' ' 3' ' ' THR . . . -74.67 -38.93 62.3 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 120.489 -0.484 . . . . 25.0 110.23 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.565 ' C ' ' H ' ' A' ' 48' ' ' ILE . 85.2 tt0 -87.54 -53.06 5.0 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.99 0.737 . . . . 50.0 112.99 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.74 HD11 ' HA ' ' A' ' 44' ' ' GLU . 4.3 pp -66.74 12.49 0.07 Allowed 'General case' 0 CA--C 1.494 -1.205 0 CA-C-N 115.746 -0.661 . . . . 16.66 111.028 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.048 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -117.26 150.37 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 119.426 -0.91 . . . . 25.0 113.148 -176.425 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.757 ' H ' HD13 ' A' ' 48' ' ' ILE . 61.3 t0 -169.19 27.78 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.64 -1.164 . . . . 50.0 110.238 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.602 ' CA ' ' HB2' ' B' ' 1' ' ' ALA . 3.1 mt-10 -161.5 14.76 0.1 Allowed 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.137 -1.06 . . . . 50.0 108.137 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 51' ' ' TYR . 2.3 t80 -68.07 147.3 52.55 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 115.135 -0.939 . . . . 16.66 110.7 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.629 HG22 ' HB3' ' A' ' 27' ' ' ASP . 14.3 t -131.65 159.93 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.96 0 CA-C-N 114.61 -1.177 . . . . 50.0 108.601 177.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.423 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 8.2 p -80.42 155.64 73.97 Favored Pre-proline 0 N--CA 1.415 -2.213 0 CA-C-O 121.431 0.634 . . . . 16.66 110.117 -178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 24.6 Cg_endo -79.1 -23.12 7.99 Favored 'Trans proline' 0 C--N 1.273 -3.402 0 C-N-CA 121.97 1.78 . . . . 16.66 110.874 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -74.19 -38.99 63.47 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.616 -0.883 . . . . 50.0 108.616 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -86.85 -48.08 8.49 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.292 -0.867 . . . . 16.66 110.757 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.419 ' CB ' ' O ' ' A' ' 53' ' ' CYS . 31.5 tt0 -54.27 -31.09 52.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.352 -0.385 . . . . 50.0 111.047 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -48.26 -36.76 14.61 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.664 -0.414 . . . . 50.0 110.286 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.5 p -70.09 -37.18 75.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.413 . . . . 50.0 110.374 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.561 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 96.9 mt-10 -65.19 -33.08 75.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.307 -0.406 . . . . 50.0 110.595 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.561 ' OD1' ' O ' ' A' ' 60' ' ' GLU . 35.1 p30 31.0 41.82 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.019 -0.537 . . . . 50.0 111.293 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . . . . . . 0 C--O 1.218 -0.567 0 CA-C-O 118.032 -0.985 . . . . 50.0 110.636 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.602 ' HB2' ' CA ' ' A' ' 50' ' ' GLU . . . . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 93.1 mtm-85 -86.55 56.74 4.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.365 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.905 HG21 ' O ' ' A' ' 45' ' ' ALA . 24.5 m -62.26 130.17 44.1 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.351 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' M3L . . . . . 0.902 HM12 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.59 178.32 6.4 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.028 0.442 . . . . 0.0 111.537 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.6 t -131.52 158.85 39.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.732 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.1 37.1 0.69 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.382 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -55.63 -35.29 65.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.012 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -56.54 -36.45 69.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.066 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 53.7 p -81.4 149.17 28.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.72 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -97.6 -70.27 0.73 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.477 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.32 101.11 0.15 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.45 133.51 12.55 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -59.89 -35.64 75.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 110.554 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.465 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . 0.46 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 18.7 Cg_endo -60.43 138.51 81.09 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.608 2.205 . . . . 0.0 112.032 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.8 mt -122.06 -113.72 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.314 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.8 38.35 1.72 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.929 -0.868 . . . . 50.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.514 ' O ' ' OD2' ' A' ' 6' ' ' ASP . 35.9 m -58.65 -40.01 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.107 -0.237 . . . . 50.0 110.935 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.514 ' OD2' ' O ' ' A' ' 5' ' ' SER . 74.1 m-20 -156.39 -14.1 0.1 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.599 -0.273 . . . . 50.0 111.216 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.406 ' H ' ' H ' ' A' ' 6' ' ' ASP . 22.6 p -122.6 166.1 15.39 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.661 0.267 . . . . 50.0 110.774 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.99 -177.34 3.91 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.216 0.531 . . . . 50.0 111.564 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.918 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -121.54 -170.77 2.09 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.341 -0.845 . . . . 50.0 110.67 -179.682 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.738 ' N ' HD22 ' A' ' 9' ' ' LEU . 2.2 m-85 -53.05 -124.09 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 -177.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 1.4 t -33.14 126.52 0.34 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 114.035 -1.438 . . . . 16.66 113.578 -177.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.694 HG23 ' CD1' ' A' ' 33' ' ' TYR . 27.1 pt -52.79 -6.91 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 CA-C-N 112.234 -2.257 . . . . 50.0 109.106 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.009 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER -90.42 7.92 36.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.199 -1.364 . . . . 16.66 109.27 179.427 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' CYS . 7.9 ptmm? 50.68 70.97 0.46 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 114.566 -1.197 . . . . 25.0 114.219 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.543 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 1.5 p -147.68 122.12 5.03 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 116.703 -0.226 . . . . 50.0 110.688 177.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -48.75 -174.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 123.272 2.648 . . . . 50.0 112.732 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.759 ' CE2' HM23 ' B' ' 4' ' ' M3L . 0.8 OUTLIER -77.58 130.77 37.33 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 121.522 0.677 . . . . 50.0 110.868 -179.478 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.751 ' C ' ' H ' ' A' ' 20' ' ' SER . 85.4 m-20 -141.04 116.95 10.44 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.757 -1.11 . . . . 50.0 108.384 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -57.7 8.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.447 -0.575 . . . . 50.0 109.447 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.751 ' H ' ' C ' ' A' ' 18' ' ' ASP . 49.6 m -102.95 -3.64 25.83 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.211 -1.403 . . . . 50.0 107.211 178.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.913 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 5.9 tptt -127.15 131.03 50.83 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 113.326 -1.761 . . . . 50.0 107.299 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 46.7 p90 -110.66 136.89 49.06 Favored 'General case' 0 CA--C 1.496 -1.101 0 CA-C-O 121.937 0.875 . . . . 16.66 110.928 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.688 ' HB2' ' HB2' ' B' ' 4' ' ' M3L . 43.2 m-85 -111.31 174.47 5.85 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 116.462 2.023 . . . . 50.0 116.462 -175.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.018 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.19 134.51 16.06 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 CA-C-N 109.351 -3.568 . . . . 16.66 106.176 176.899 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -97.46 122.62 7.52 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 120.803 -0.713 . . . . 16.66 114.13 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.316 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 4.7 t -51.61 125.31 14.38 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.853 -0.795 . . . . 16.66 108.853 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.543 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 60.6 t0 -60.62 -37.75 82.46 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.047 -0.661 . . . . 25.0 110.256 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -103.04 -29.89 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.947 -0.57 . . . . 50.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.316 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -88.2 0.12 56.45 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.102 0.477 . . . . 16.66 110.295 -178.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 4.8 pt20 30.68 34.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.255 -0.884 . . . . 16.66 112.218 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 29' ' ' CYS . 21.2 p30 -133.49 170.59 15.28 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 120.511 -0.476 . . . . 50.0 110.989 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.976 ' CD1' HM12 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -123.82 151.18 43.66 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 116.622 2.082 . . . . 16.66 116.622 -173.53 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.716 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -139.12 158.52 44.04 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 113.589 -1.641 . . . . 50.0 108.909 173.488 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.913 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -71.5 140.37 49.93 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 106.121 -1.807 . . . . 16.66 106.121 176.895 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.544 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -43.14 -46.11 6.38 Favored Glycine 0 C--N 1.308 -1.005 0 C-N-CA 119.607 -1.282 . . . . 16.66 111.476 -178.167 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.419 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -79.88 -20.31 46.17 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.597 -0.519 . . . . 50.0 109.597 179.192 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER -51.78 -27.01 10.87 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.893 -0.723 . . . . 16.66 109.102 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.4 m -123.39 10.49 5.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.212 -0.904 . . . . 16.66 110.653 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.36 45.81 36.54 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 115.431 -0.804 . . . . 16.66 112.562 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.544 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -109.7 167.59 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.643 -0.423 . . . . 16.66 110.942 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.0 mp -60.2 164.62 4.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 50.0 110.232 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -78.28 -55.54 5.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.591 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.637 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 74.9 m -70.19 -15.95 63.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.384 -0.825 . . . . 50.0 109.245 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.752 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -41.14 -20.1 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.159 -0.928 . . . . 50.0 111.049 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.734 ' O ' HG21 ' B' ' 3' ' ' THR . . . -74.79 -47.36 31.23 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 120.55 -0.46 . . . . 25.0 111.147 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -86.86 -44.51 11.64 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.89 1.07 . . . . 50.0 113.89 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.028 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -55.35 -24.48 29.66 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.036 0.384 . . . . 16.66 112.036 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.028 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -85.87 171.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.589 0.709 . . . . 25.0 109.984 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 49' ' ' ASP . 56.9 t0 -161.35 12.76 0.09 Allowed 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.642 -1.163 . . . . 50.0 109.115 -178.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -158.28 41.12 0.26 Allowed 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 105.804 -1.924 . . . . 50.0 105.804 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.716 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 63.4 t80 -66.24 146.55 54.48 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 114.418 -1.265 . . . . 16.66 112.063 -177.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.716 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 20.0 t -137.18 156.8 34.45 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 CA-C-N 113.124 -1.853 . . . . 50.0 109.035 178.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.234 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 1.6 p -79.25 162.47 63.87 Favored Pre-proline 0 N--CA 1.417 -2.109 0 N-CA-C 108.539 -0.911 . . . . 16.66 108.539 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 17.3 Cg_endo -82.73 -28.84 1.55 Allowed 'Trans proline' 0 C--N 1.277 -3.186 0 C-N-CA 121.672 1.581 . . . . 16.66 111.399 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -76.08 -28.33 57.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.558 -0.746 . . . . 50.0 109.03 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.967 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 15.5 m -63.98 -35.65 81.39 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.573 -0.74 . . . . 16.66 109.894 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -55.06 -32.81 62.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.705 -0.679 . . . . 50.0 110.38 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.8 t -58.29 -29.09 65.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.931 -0.577 . . . . 50.0 110.711 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -125.7 2.57 7.5 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 111.867 0.321 . . . . 50.0 111.867 -179.164 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' CYS . 4.9 mm-40 -38.81 103.11 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.985 0.421 . . . . 50.0 110.804 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 58.1 t0 -57.13 -37.04 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.786 -0.643 . . . . 50.0 110.51 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.13 -0.938 . . . . 50.0 110.484 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.543 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 23.3 mtm180 -95.47 48.87 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.79 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.734 HG21 ' O ' ' A' ' 45' ' ' ALA . 17.2 m -61.85 133.33 55.33 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' M3L . . . . . 0.976 HM12 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.372 . . . . 0.0 110.226 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -128.2 167.89 16.22 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.993 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.444 ' O ' ' C ' ' B' ' 7' ' ' ALA . 1.6 t -74.44 165.84 24.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.771 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' B' ' 6' ' ' THR . . . 34.06 63.24 0.42 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' B' ' 8' ' ' ARG . 56.8 mtm180 -57.1 -48.29 78.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.565 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -149.96 153.57 36.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.749 0.309 . . . . 0.0 110.992 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.578 ' C ' ' H ' ' B' ' 12' ' ' GLY . 27.7 t -144.52 143.26 30.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.514 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 57.56 -2.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.578 ' H ' ' C ' ' B' ' 10' ' ' SER . . . 66.58 -134.4 32.9 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.24 -158.93 38.6 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.643 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 26.6 mtmm 63.12 49.32 3.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.741 0.305 . . . . 0.0 110.643 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' B' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.564 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.421 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.493 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 19.6 Cg_endo -59.78 140.4 93.1 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.76 2.307 . . . . 0.0 111.958 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.853 HD22 ' N ' ' A' ' 3' ' ' LEU . 1.5 mm? -90.29 2.21 55.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.69 169.62 23.1 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.052 -0.819 . . . . 50.0 111.052 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -151.93 -118.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 50.0 110.639 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.527 ' OD1' HG23 ' A' ' 7' ' ' THR . 32.8 p-10 -61.14 -35.17 76.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 50.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.527 HG23 ' OD1' ' A' ' 6' ' ' ASP . 44.2 p -82.7 162.65 21.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.433 -0.349 . . . . 50.0 110.368 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -92.84 -178.4 4.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.128 0.49 . . . . 50.0 110.8 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.6 mt -107.56 162.83 13.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.603 -0.726 . . . . 50.0 111.254 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.543 ' CD1' ' HD1' ' A' ' 32' ' ' TRP . 19.2 m-85 -114.86 -93.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.73 -0.668 . . . . 25.0 111.221 -178.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.958 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 8.1 t -36.24 134.92 0.39 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.974 0.892 . . . . 16.66 111.964 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.681 HG23 ' CD1' ' A' ' 33' ' ' TYR . 16.6 pt -51.1 -7.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 113.852 -1.522 . . . . 50.0 108.156 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.958 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -85.72 -25.12 26.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 113.554 -1.657 . . . . 16.66 110.852 -179.572 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 21.1 mttp 83.31 78.89 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.212 0.449 . . . . 25.0 112.212 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.549 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 43.2 p -148.67 148.54 28.36 Favored Pre-proline 0 N--CA 1.468 0.471 0 C-N-CA 121.126 -0.23 . . . . 50.0 111.479 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -70.18 168.63 21.57 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.965 2.444 . . . . 50.0 111.64 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.771 ' CE1' HM13 ' B' ' 4' ' ' M3L . 1.1 t80 -72.21 118.82 15.56 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 120.372 -0.531 . . . . 50.0 110.908 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.724 ' C ' ' H ' ' A' ' 20' ' ' SER . 0.5 OUTLIER -121.36 120.61 35.54 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.873 -0.788 . . . . 50.0 108.873 178.025 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.6 5.52 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.897 -0.779 . . . . 50.0 108.897 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.724 ' H ' ' C ' ' A' ' 18' ' ' ASP . 37.2 m -103.19 -14.83 16.21 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 114.83 -1.077 . . . . 50.0 108.183 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.673 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -106.29 130.42 54.14 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 106.805 -1.554 . . . . 50.0 106.805 179.118 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 36.9 p90 -107.97 148.9 29.05 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 108.566 -0.901 . . . . 16.66 108.566 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.905 ' HB2' ' HB2' ' B' ' 4' ' ' M3L . 14.8 m-85 -126.99 175.49 8.04 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 124.385 2.04 . . . . 50.0 115.605 -175.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.024 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -143.69 128.95 15.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 CA-C-N 109.124 -3.671 . . . . 16.66 105.982 177.524 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.503 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -94.02 123.64 7.55 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.313 -0.946 . . . . 16.66 114.134 -177.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.473 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.6 OUTLIER -48.42 108.89 0.19 Allowed 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.283 -1.377 . . . . 16.66 107.283 176.235 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.518 ' HA ' HH12 ' B' ' 2' ' ' ARG . 90.9 m-20 -63.48 -36.43 83.74 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-O 122.18 0.991 . . . . 25.0 108.458 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.753 ' HE ' HG23 ' A' ' 59' ' ' THR . 28.8 ttt85 -94.34 -37.82 11.29 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 113.594 -1.639 . . . . 50.0 111.014 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.327 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -84.04 -28.33 27.71 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.882 -0.727 . . . . 16.66 110.988 -178.87 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.808 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 79.04 21.48 0.67 Allowed 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.79 1.033 . . . . 16.66 113.79 178.163 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.619 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 26.9 p30 -135.01 170.03 16.53 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 119.23 0.923 . . . . 50.0 112.419 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.828 ' CB ' HM23 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -116.15 147.6 41.21 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 116.145 1.906 . . . . 16.66 116.145 -175.154 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.681 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -139.05 162.14 35.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.017 -0.992 . . . . 50.0 109.653 173.796 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.673 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -70.89 139.0 50.63 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 106.143 -1.799 . . . . 16.66 106.143 176.715 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.2 -47.76 5.48 Favored Glycine 0 C--N 1.306 -1.099 0 C-N-CA 119.627 -1.273 . . . . 16.66 111.627 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.409 ' HG3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -79.12 -18.01 54.02 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.123 -0.631 . . . . 50.0 109.727 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.958 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 5.6 t -50.43 -30.67 13.09 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.38 -0.928 . . . . 16.66 108.668 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.7 m -116.66 15.02 7.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 114.92 -1.037 . . . . 16.66 110.881 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.22 45.82 59.97 Favored Glycine 0 N--CA 1.461 0.304 0 CA-C-N 115.795 -0.639 . . . . 16.66 111.965 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.502 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -112.32 167.69 5.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.084 0.468 . . . . 16.66 110.967 -179.403 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.493 ' N ' HG23 ' A' ' 40' ' ' ILE . 35.1 mt -62.57 165.81 5.94 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.622 -0.717 . . . . 50.0 110.49 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -79.63 -55.23 5.17 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.468 -0.787 . . . . 25.0 110.358 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.584 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 75.7 m -67.33 -16.29 64.17 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.292 -0.867 . . . . 50.0 109.094 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.776 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -42.46 -20.89 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 115.497 -0.774 . . . . 50.0 110.409 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.904 ' O ' HG21 ' B' ' 3' ' ' THR . . . -70.5 -46.52 63.54 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.923 -0.58 . . . . 25.0 110.871 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HA ' HE22 ' B' ' 5' ' ' GLN . 13.0 pm0 -89.85 -42.61 11.14 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.604 1.335 . . . . 50.0 114.604 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.069 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -56.4 -27.08 55.31 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.445 0.906 . . . . 16.66 113.445 -176.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.069 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.1 pp -85.47 172.27 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.71 0.767 . . . . 25.0 110.418 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.499 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 54.7 t0 -160.97 17.73 0.12 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.326 -1.307 . . . . 50.0 108.969 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -162.28 35.29 0.12 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 114.034 -1.439 . . . . 50.0 107.236 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.637 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 17.2 t80 -66.22 145.71 55.45 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 115.061 -0.972 . . . . 16.66 111.201 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.637 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 16.1 t -135.6 157.57 39.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 CA-C-N 113.717 -1.583 . . . . 50.0 108.565 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.473 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.8 p -79.87 158.88 72.29 Favored Pre-proline 0 N--CA 1.411 -2.391 0 CA-C-O 121.321 0.582 . . . . 16.66 109.57 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.474 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 18.9 Cg_endo -81.66 -25.33 3.72 Favored 'Trans proline' 0 C--N 1.275 -3.313 0 C-N-CA 121.95 1.767 . . . . 16.66 110.759 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.55 ' OE1' HG22 ' A' ' 12' ' ' ILE . 26.4 mt-30 -70.81 -35.7 72.63 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.201 -1.037 . . . . 50.0 108.201 177.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -69.05 -39.93 78.85 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.999 -1.0 . . . . 16.66 109.691 179.099 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -56.27 -21.0 21.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.121 -0.491 . . . . 50.0 110.406 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.9 t -51.92 -27.57 13.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.168 -0.469 . . . . 50.0 110.257 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.753 HG23 ' HE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -130.08 -19.25 3.23 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 111.996 0.369 . . . . 50.0 111.996 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.523 ' O ' ' CZ ' ' A' ' 28' ' ' ARG . 98.1 mt-10 42.16 -164.61 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.509 -0.476 . . . . 50.0 110.323 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -53.28 -36.84 61.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.393 -0.367 . . . . 50.0 110.131 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.012 -0.994 . . . . 50.0 110.396 179.845 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.499 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.652 HH22 ' N ' ' A' ' 26' ' ' CYS . 13.8 ttp-105 -88.67 33.51 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.742 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.904 HG21 ' O ' ' A' ' 45' ' ' ALA . 20.3 m -58.38 137.49 57.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.009 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' M3L . . . . . 0.905 ' HB2' ' HB2' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.568 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 12.4 pt20 -111.13 160.14 17.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.302 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.5 p -126.83 168.37 14.55 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.865 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.25 149.5 5.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -89.82 92.23 8.95 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -63.73 -31.63 72.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.99 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' B' ' 11' ' ' THR . 87.8 p -57.83 -31.62 66.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.215 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' B' ' 10' ' ' SER . 1.1 m 83.27 164.29 0.12 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' B' ' 13' ' ' GLY . . . -57.78 -28.58 60.5 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' B' ' 12' ' ' GLY . . . -37.94 142.5 0.3 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -133.57 163.01 30.36 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.834 0.349 . . . . 0.0 110.544 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.551 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.678 179.871 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . 0.459 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.85 -10.23 16.64 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.939 2.426 . . . . 0.0 111.92 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.7 mt -76.89 146.52 37.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.818 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.19 68.91 0.65 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.081 -0.807 . . . . 50.0 111.081 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 t -114.71 135.96 53.59 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.758 0.313 . . . . 50.0 110.54 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.453 ' OD2' ' C ' ' A' ' 6' ' ' ASP . 48.2 p30 -102.07 15.27 29.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.213 -0.449 . . . . 50.0 110.919 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.2 p -112.93 169.88 8.6 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.241 0.543 . . . . 50.0 111.171 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -70.28 -174.16 0.79 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.367 -0.833 . . . . 50.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.011 ' H ' HD12 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -60.25 175.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.515 -0.766 . . . . 50.0 111.137 -179.044 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.503 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 16.5 m-85 -67.93 -108.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.534 -0.757 . . . . 25.0 112.454 -178.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 1.127 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -35.63 131.28 0.51 Allowed 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 122.49 1.138 . . . . 16.66 112.391 -177.742 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.726 HG23 ' CD1' ' A' ' 33' ' ' TYR . 14.2 pt -47.78 -7.41 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 112.703 -2.044 . . . . 50.0 109.827 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.968 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.5 OUTLIER -90.14 12.38 18.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.861 -1.063 . . . . 16.66 109.785 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 11' ' ' CYS . 15.7 pttp 45.73 78.79 0.06 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.369 -0.832 . . . . 25.0 113.22 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.527 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 2.9 p -149.33 144.97 18.49 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-N 116.501 -0.318 . . . . 50.0 110.948 178.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -70.66 170.41 17.72 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 123.013 2.475 . . . . 50.0 112.274 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.659 ' CZ ' ' CM1' ' B' ' 4' ' ' M3L . 0.8 OUTLIER -67.07 134.69 52.36 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.425 0.631 . . . . 50.0 110.565 -179.544 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.736 ' C ' ' H ' ' A' ' 20' ' ' SER . 62.1 m-20 -140.21 113.99 8.81 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.018 -0.992 . . . . 50.0 108.887 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -57.03 7.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.248 0.547 . . . . 50.0 109.999 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.736 ' H ' ' C ' ' A' ' 18' ' ' ASP . 25.2 m -107.05 1.02 24.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.079 -1.082 . . . . 50.0 108.079 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.91 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 1.6 tptm -125.74 132.09 52.41 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.009 -1.451 . . . . 50.0 108.118 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 41.9 p90 -105.83 146.91 29.28 Favored 'General case' 0 CA--C 1.496 -1.102 0 C-N-CA 120.008 -0.677 . . . . 16.66 110.18 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.882 ' CD2' HM22 ' B' ' 4' ' ' M3L . 51.9 m-85 -123.91 173.87 7.93 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 124.045 1.879 . . . . 50.0 115.972 -175.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.02 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -143.44 130.56 17.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 CA-C-N 109.833 -3.349 . . . . 16.66 106.389 176.827 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.54 124.31 7.56 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 120.316 -0.945 . . . . 16.66 113.92 -177.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.457 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.4 t -48.98 110.35 0.35 Allowed 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.078 -1.082 . . . . 16.66 108.078 176.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.633 ' HB3' HG22 ' A' ' 52' ' ' VAL . 58.0 t0 -62.65 -35.7 80.48 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.308 0.575 . . . . 25.0 110.02 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.67 -25.15 13.66 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.109 -0.95 . . . . 50.0 110.299 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.331 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -91.17 -28.25 17.98 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 119.891 -0.724 . . . . 16.66 110.036 179.148 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.788 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 76.79 21.41 1.22 Allowed 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.303 0.853 . . . . 16.66 113.303 178.718 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.564 ' H ' ' CB ' ' A' ' 26' ' ' CYS . 26.0 p30 -135.03 172.07 13.53 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 118.972 0.805 . . . . 50.0 112.811 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.748 ' HB2' HM23 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -114.76 149.7 36.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 117.327 2.343 . . . . 16.66 117.327 -173.728 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.73 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -139.93 154.13 47.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.139 -1.391 . . . . 50.0 109.8 172.36 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.991 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 0.4 OUTLIER -67.53 141.59 56.83 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 105.303 -2.11 . . . . 16.66 105.303 176.155 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.544 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.37 -56.41 4.1 Favored Glycine 0 C--N 1.31 -0.899 0 C-N-CA 119.482 -1.342 . . . . 16.66 111.9 -177.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.485 ' HE ' ' HE2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -73.88 -18.14 60.96 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.155 -0.618 . . . . 50.0 110.038 179.528 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 1.127 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.8 t -50.51 -29.19 9.96 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.387 -0.968 . . . . 16.66 108.387 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 m -119.09 9.41 6.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.12 -0.945 . . . . 16.66 110.73 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 74.9 45.9 19.22 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 121.209 -0.519 . . . . 16.66 112.194 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.544 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -112.75 167.89 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.844 0.354 . . . . 16.66 110.825 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.4 mm? -60.5 164.77 4.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.364 0.602 . . . . 50.0 110.346 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -78.1 -55.59 5.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.493 -0.776 . . . . 25.0 110.359 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.582 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 58.1 m -70.03 -15.24 62.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.376 -0.829 . . . . 50.0 109.327 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.741 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -41.8 -20.93 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.352 -0.84 . . . . 50.0 110.953 -178.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.741 ' O ' HG21 ' B' ' 3' ' ' THR . . . -71.53 -47.13 57.15 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 120.639 -0.424 . . . . 25.0 110.82 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -88.24 -43.92 11.23 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.48 1.289 . . . . 50.0 114.48 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.041 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -55.5 -25.34 36.64 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.885 0.698 . . . . 16.66 112.885 -177.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.041 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.0 pp -85.62 172.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.683 0.754 . . . . 25.0 110.328 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.473 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 18.8 t70 -161.47 20.21 0.12 Allowed 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.319 -1.31 . . . . 50.0 109.086 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' A' ' 50' ' ' GLU . 1.6 pp20? -166.16 35.04 0.05 OUTLIER 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 106.821 -1.548 . . . . 50.0 106.821 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.665 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 20.8 t80 -66.4 146.63 54.35 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 114.937 -1.028 . . . . 16.66 111.374 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.665 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 14.5 t -137.31 159.79 35.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 113.554 -1.657 . . . . 50.0 108.875 177.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.457 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.4 p -80.66 158.05 71.42 Favored Pre-proline 0 N--CA 1.416 -2.147 0 CA-C-O 121.355 0.598 . . . . 16.66 109.712 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 19.1 Cg_endo -82.18 -23.79 4.2 Favored 'Trans proline' 0 C--N 1.276 -3.274 0 C-N-CA 121.877 1.718 . . . . 16.66 110.905 -179.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -74.75 -37.48 62.47 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.878 -0.786 . . . . 50.0 108.878 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 1.142 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -82.27 -23.07 35.46 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.72 -0.673 . . . . 16.66 110.109 179.496 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -54.82 -39.23 68.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.376 . . . . 50.0 110.721 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.469 ' O ' ' OD2' ' A' ' 61' ' ' ASP . 22.9 t -59.73 -36.84 77.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.978 0.418 . . . . 50.0 110.293 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.1 m -64.25 -32.4 73.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 50.0 111.195 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.82 -33.48 68.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 50.0 111.578 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.47 ' OD2' ' C ' ' A' ' 61' ' ' ASP . 46.5 p30 -71.93 168.73 17.36 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.51 -0.476 . . . . 50.0 110.654 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.001 -0.999 . . . . 50.0 110.561 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.473 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.629 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 13.5 ptt-85 -95.65 62.35 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.216 0.531 . . . . 0.0 110.784 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.741 HG21 ' O ' ' A' ' 45' ' ' ALA . 31.4 m -71.02 142.1 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' M3L . . . . . 0.882 HM22 ' CD2' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.322 -0.617 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.227 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' B' ' 3' ' ' THR . 25.5 mp0 -98.12 163.31 12.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.712 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 15.1 t -129.47 151.47 50.07 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.813 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.83 156.4 37.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.287 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' B' ' 10' ' ' SER . 41.3 ttp180 -143.03 16.72 1.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.88 0.371 . . . . 0.0 110.537 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' B' ' 8' ' ' ARG . 10.2 ptpp? 37.81 31.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.424 ' N ' ' O ' ' B' ' 8' ' ' ARG . 13.1 t -145.81 -50.21 0.23 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.429 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.427 HG23 ' N ' ' B' ' 12' ' ' GLY . 10.0 t -65.31 -38.17 89.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.635 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.427 ' N ' HG23 ' B' ' 11' ' ' THR . . . -84.18 -178.06 51.49 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.61 15.27 68.65 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 tttm 63.56 49.3 3.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.007 0.432 . . . . 0.0 110.176 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.599 -179.942 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.388 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -53.51 139.61 65.61 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.788 2.325 . . . . 0.0 112.017 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.4 mt -104.33 141.59 36.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.402 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.04 106.49 0.19 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.205 -0.758 . . . . 50.0 111.205 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -81.18 -6.4 58.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 50.0 110.598 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -56.05 -37.86 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 50.0 110.709 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.7 p -87.09 161.76 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.39 . . . . 50.0 110.79 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.33 102.05 8.03 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.002 -0.545 . . . . 50.0 110.54 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.489 ' HG ' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -144.86 -174.68 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.536 -0.866 . . . . 50.0 112.041 179.092 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 16.6 m-85 -89.72 -110.6 0.08 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.873 -1.058 . . . . 25.0 110.789 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 1.117 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -37.09 132.68 0.7 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 122.427 1.108 . . . . 16.66 111.868 -178.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.715 HG23 ' CD1' ' A' ' 33' ' ' TYR . 21.0 pt -46.15 -6.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-N 112.721 -2.036 . . . . 50.0 110.202 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.98 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -85.26 -28.39 25.37 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.271 -0.877 . . . . 16.66 110.724 179.459 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.577 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 93.2 mttt 84.28 78.42 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.192 0.442 . . . . 25.0 112.192 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.598 HG22 ' NE2' ' A' ' 34' ' ' HIS . 0.5 OUTLIER -152.45 147.09 18.97 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 120.966 -0.294 . . . . 50.0 111.184 178.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HA ' HD11 ' A' ' 9' ' ' LEU . 18.8 Cg_endo -60.13 153.66 57.03 Favored 'Trans proline' 0 N--CA 1.504 2.135 0 C-N-CA 123.594 2.862 . . . . 50.0 112.509 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.742 ' CD1' HM21 ' B' ' 4' ' ' M3L . 1.8 t80 -67.69 124.06 22.22 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.04 0.448 . . . . 50.0 109.974 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.557 ' C ' ' H ' ' A' ' 20' ' ' SER . 63.5 t0 -133.86 133.36 41.44 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.59 -0.732 . . . . 50.0 110.232 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.18 1.53 0.46 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.669 -0.696 . . . . 50.0 109.179 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.557 ' H ' ' C ' ' A' ' 18' ' ' ASP . 73.2 m -96.81 -7.62 33.18 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 107.791 -1.189 . . . . 50.0 107.791 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.862 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 5.4 tptp -123.55 131.41 53.62 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 113.451 -1.704 . . . . 50.0 107.224 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 44.6 p90 -109.6 138.99 45.16 Favored 'General case' 0 CA--C 1.495 -1.136 0 C-N-CA 119.818 -0.753 . . . . 16.66 110.478 -179.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.924 ' CG ' HM23 ' B' ' 4' ' ' M3L . 12.1 m-85 -116.27 173.97 6.3 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-O 123.901 1.81 . . . . 50.0 115.294 -176.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.033 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -145.59 133.17 15.73 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 CA-C-N 110.074 -3.239 . . . . 16.66 107.203 178.125 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -92.76 127.31 8.93 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 120.568 -0.825 . . . . 16.66 113.929 -178.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.316 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 7.9 t -58.4 114.31 2.38 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.67 0.788 . . . . 16.66 108.927 177.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.577 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 59.3 t0 -50.86 -34.4 27.91 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.335 -0.546 . . . . 25.0 110.83 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.653 ' NH2' HG21 ' A' ' 59' ' ' THR . 0.5 OUTLIER -106.5 -35.26 7.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.493 -0.321 . . . . 50.0 110.765 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.316 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -83.43 -0.12 48.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.105 0.478 . . . . 16.66 110.39 -178.711 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 4.2 pt20 33.21 33.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.964 -1.016 . . . . 16.66 112.948 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.474 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 20.6 p30 -133.34 169.83 16.35 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 120.279 -0.568 . . . . 50.0 110.899 178.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.701 ' CD1' ' CM3' ' B' ' 4' ' ' M3L . 0.0 OUTLIER -121.93 149.11 43.9 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 116.172 1.915 . . . . 16.66 116.172 -174.448 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.747 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -135.62 158.22 44.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.713 -1.13 . . . . 50.0 110.014 173.828 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.953 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 1.4 m80 -70.31 138.95 51.94 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 105.577 -2.009 . . . . 16.66 105.577 176.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -45.5 -42.39 9.89 Favored Glycine 0 C--N 1.303 -1.263 0 C-N-CA 119.126 -1.511 . . . . 16.66 111.157 -178.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.48 ' CD ' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -80.52 -20.61 43.16 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.299 -0.561 . . . . 50.0 109.568 179.069 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 1.117 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.5 OUTLIER -53.61 -25.71 18.76 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.744 -0.835 . . . . 16.66 108.744 179.613 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.3 m -125.57 9.42 4.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.225 -0.898 . . . . 16.66 111.132 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.21 45.98 37.07 Favored Glycine 0 N--CA 1.462 0.419 0 CA-C-N 115.998 -0.546 . . . . 16.66 112.497 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.503 HG12 ' OE1' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -108.15 166.91 4.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 110.238 -0.282 . . . . 16.66 110.238 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.756 ' N ' ' OE1' ' A' ' 44' ' ' GLU . 9.3 mp -60.37 164.43 4.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.219 0.533 . . . . 50.0 109.867 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -78.47 -56.18 4.64 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.442 -0.799 . . . . 25.0 111.166 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.579 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 73.5 m -71.43 -15.41 62.34 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.708 . . . . 50.0 109.277 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.784 ' HA ' HD11 ' A' ' 47' ' ' LEU . 2.5 tt0 -42.97 -19.4 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 115.467 -0.788 . . . . 50.0 111.105 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.765 ' O ' HG21 ' B' ' 3' ' ' THR . . . -68.6 -50.1 54.19 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.529 -0.468 . . . . 25.0 110.959 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -87.8 -44.43 11.12 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.417 1.265 . . . . 50.0 114.417 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.081 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -55.04 -23.97 22.57 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.528 0.566 . . . . 16.66 112.528 -177.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.081 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -85.8 171.82 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.504 0.668 . . . . 25.0 110.102 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.417 ' H ' ' H ' ' A' ' 50' ' ' GLU . 22.0 t70 -161.1 8.54 0.08 Allowed 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.67 -1.15 . . . . 50.0 109.456 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.417 ' H ' ' H ' ' A' ' 49' ' ' ASP . 21.4 pt-20 -149.69 36.15 0.71 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 106.564 -1.643 . . . . 50.0 106.564 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.648 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 55.9 t80 -66.97 145.57 55.28 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.536 -1.211 . . . . 16.66 112.495 -177.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.648 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 9.2 t -138.51 157.72 30.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 113.137 -1.847 . . . . 50.0 108.643 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.305 ' CB ' ' HG ' ' A' ' 26' ' ' CYS . 1.4 p -75.61 160.52 79.08 Favored Pre-proline 0 N--CA 1.413 -2.303 0 N-CA-C 108.356 -0.979 . . . . 16.66 108.356 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 26.4 Cg_endo -81.17 -25.19 4.12 Favored 'Trans proline' 0 C--N 1.275 -3.321 0 C-N-CA 121.735 1.623 . . . . 16.66 111.577 -178.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -78.84 -29.11 44.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.249 -1.019 . . . . 50.0 108.249 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 1.044 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 38.4 m -62.43 -37.12 84.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.351 -1.295 . . . . 16.66 110.314 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -60.1 -28.74 68.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.681 -0.691 . . . . 50.0 111.583 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.0 t -56.48 -37.36 70.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.301 -0.409 . . . . 50.0 111.825 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.653 HG21 ' NH2' ' A' ' 28' ' ' ARG . 1.1 p -107.29 -47.31 3.69 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.096 0.406 . . . . 50.0 112.096 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 59' ' ' THR . 66.1 mm-40 58.09 132.9 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.026 0.441 . . . . 50.0 110.821 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 54.91 45.62 26.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.051 -0.522 . . . . 50.0 110.685 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.003 -0.999 . . . . 50.0 110.555 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.577 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 4.4 ptt85 -92.95 71.53 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.22 0.533 . . . . 0.0 110.071 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.765 HG21 ' O ' ' A' ' 45' ' ' ALA . 17.3 m -69.77 140.64 53.41 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' M3L . . . . . 0.924 HM23 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.323 -0.58 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' B' ' 3' ' ' THR . 0.7 OUTLIER -134.11 169.42 17.18 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.961 0.41 . . . . 0.0 111.388 -178.785 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.467 ' O ' ' O ' ' B' ' 7' ' ' ALA . 6.1 t -78.67 14.2 1.39 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.384 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' B' ' 6' ' ' THR . . . 57.4 134.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.203 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -133.15 72.65 1.49 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.399 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -58.36 -29.5 66.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.698 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 87.4 p -53.68 -28.41 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.758 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 40.3 m -78.56 135.36 37.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.476 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.77 -172.66 42.48 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.22 -174.74 30.4 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 50.1 tttp 62.59 56.23 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.343 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.564 -179.889 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.454 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.89 -20.37 59.4 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.778 2.319 . . . . 0.0 111.928 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.8 tp -55.81 -38.73 70.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' O ' ' OG ' ' A' ' 5' ' ' SER . . . 169.97 -179.85 42.03 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.884 -0.886 . . . . 50.0 110.884 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 4' ' ' GLY . 2.9 m 174.87 92.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.746 0.308 . . . . 50.0 110.477 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' C ' ' OD2' ' A' ' 6' ' ' ASP . 52.7 p30 -88.7 7.08 35.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 50.0 110.59 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.8 p -83.98 162.89 20.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 50.0 110.678 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.504 ' CE ' ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -91.72 -176.21 4.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 50.0 110.387 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.504 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 45.5 mt -61.84 167.33 3.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.453 0.644 . . . . 50.0 111.782 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 10.4 m-85 -86.34 -110.11 0.05 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.502 -0.772 . . . . 25.0 110.952 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 1.083 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -37.93 132.45 0.96 Allowed 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 122.318 1.056 . . . . 16.66 111.747 -178.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.76 HG23 ' CD1' ' A' ' 33' ' ' TYR . 19.6 pt -47.79 -6.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 CA-C-N 113.05 -1.886 . . . . 50.0 110.205 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.015 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -81.26 -27.45 35.16 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.169 -0.923 . . . . 16.66 110.652 179.444 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 22.9 mtmm 85.95 78.78 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.483 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 19.5 p -156.03 148.62 17.89 Favored Pre-proline 0 N--CA 1.468 0.433 0 CA-C-O 120.629 0.252 . . . . 50.0 110.96 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.07 166.4 25.01 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 123.114 2.542 . . . . 50.0 112.166 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.775 ' CE1' HM13 ' B' ' 4' ' ' M3L . 0.9 OUTLIER -65.14 135.75 55.86 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.397 0.618 . . . . 50.0 110.496 -179.353 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.73 ' C ' ' H ' ' A' ' 20' ' ' SER . 83.8 m-20 -139.4 114.51 9.58 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 114.825 -1.079 . . . . 50.0 108.761 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -55.99 4.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.206 0.526 . . . . 50.0 109.637 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.73 ' H ' ' C ' ' A' ' 18' ' ' ASP . 15.1 m -102.38 -6.19 23.29 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.633 -0.877 . . . . 50.0 108.633 178.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.74 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 2.4 tptm -120.08 134.12 55.34 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 114.71 -1.132 . . . . 50.0 108.277 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.57 ' CZ ' ' OE1' ' A' ' 42' ' ' GLN . 51.3 p90 -109.47 141.25 42.18 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.751 -0.658 . . . . 16.66 109.671 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.878 ' HB2' ' HB2' ' B' ' 4' ' ' M3L . 7.0 m-85 -119.01 175.66 5.66 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 123.939 1.828 . . . . 50.0 114.851 -176.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.11 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -142.9 122.57 9.27 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 CA-C-N 110.153 -3.203 . . . . 16.66 108.012 178.227 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -93.22 120.5 6.24 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 110.727 -0.949 . . . . 16.66 110.727 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.373 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -82.25 113.99 20.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.802 0.811 . . . . 16.66 110.0 -179.365 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.594 ' N ' ' HE ' ' B' ' 2' ' ' ARG . 93.2 m-20 -39.21 -39.4 0.61 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.179 -1.373 . . . . 25.0 114.005 -176.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.654 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -102.59 -9.51 20.07 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.285 -0.566 . . . . 50.0 110.689 -179.069 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.44 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -100.6 -3.48 30.4 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.802 -0.814 . . . . 16.66 108.802 179.714 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.595 ' C ' HH22 ' B' ' 2' ' ' ARG . 0.1 OUTLIER 37.31 16.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.251 -1.341 . . . . 16.66 113.653 177.331 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.813 ' N ' HH22 ' B' ' 2' ' ' ARG . 34.8 p-10 -134.17 168.88 18.05 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 119.175 -1.01 . . . . 50.0 112.283 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.827 ' CB ' HM23 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -115.29 143.74 44.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 114.731 1.382 . . . . 16.66 114.731 -175.126 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.796 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -130.47 148.91 52.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.895 -0.593 . . . . 50.0 111.011 175.504 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 1.043 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -62.79 141.44 58.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 104.869 -2.271 . . . . 16.66 104.869 175.496 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.517 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.01 -59.47 2.91 Favored Glycine 0 C--N 1.31 -0.894 0 C-N-CA 119.491 -1.337 . . . . 16.66 111.862 -177.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.433 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -69.34 -19.97 63.86 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.498 -0.481 . . . . 50.0 110.56 179.797 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 1.083 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.2 t -50.72 -30.87 14.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 119.555 -0.858 . . . . 16.66 108.927 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.6 m -116.87 10.89 7.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.298 -0.864 . . . . 16.66 110.753 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 74.13 45.53 25.26 Favored Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.8 -0.637 . . . . 16.66 112.176 178.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.517 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -114.59 167.12 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.139 0.495 . . . . 16.66 111.037 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.55 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 76.4 mt -65.08 165.87 10.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.435 -0.802 . . . . 50.0 111.36 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.57 ' OE1' ' CZ ' ' A' ' 22' ' ' PHE . 2.3 tp-100 -79.09 -56.49 4.33 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.91 -1.041 . . . . 25.0 109.944 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.67 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 41.6 m -59.11 -27.89 66.01 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.168 -0.924 . . . . 50.0 109.026 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.857 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -42.1 -19.15 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 114.698 -1.137 . . . . 50.0 111.315 -177.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.936 ' O ' HG21 ' B' ' 3' ' ' THR . . . -69.06 -54.06 17.06 Favored 'General case' 0 C--N 1.31 -1.119 0 C-N-CA 120.227 -0.589 . . . . 25.0 110.337 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' HA ' HE22 ' B' ' 5' ' ' GLN . 85.1 tt0 -88.4 -43.4 11.52 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 115.017 1.488 . . . . 50.0 115.017 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.11 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.5 pp -55.57 -26.14 41.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.331 0.863 . . . . 16.66 113.331 -176.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.11 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.4 pp -85.48 171.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.775 0.797 . . . . 25.0 110.109 -179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' B' ' 1' ' ' ALA . 51.1 t0 -160.81 10.46 0.09 Allowed 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 114.346 -1.297 . . . . 50.0 108.923 -178.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -151.42 35.27 0.57 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 113.974 -1.466 . . . . 50.0 107.263 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.704 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 21.8 t80 -66.79 148.47 51.89 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.181 -0.918 . . . . 16.66 111.298 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.704 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 13.1 t -137.96 159.49 33.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.083 -1.417 . . . . 50.0 110.561 178.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.44 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -72.57 163.16 69.95 Favored Pre-proline 0 CA--C 1.481 -1.678 0 N-CA-C 108.458 -0.942 . . . . 16.66 108.458 -179.487 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -82.33 -23.98 3.98 Favored 'Trans proline' 0 C--N 1.262 -3.996 0 C-N-CA 121.348 1.366 . . . . 16.66 109.313 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' O ' ' OG1' ' A' ' 59' ' ' THR . 99.6 mm-40 -88.86 -57.99 2.71 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.763 -1.108 . . . . 50.0 110.751 177.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 1.301 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 27.5 p -68.22 -17.14 64.24 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.12 0.785 . . . . 16.66 113.12 -178.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.618 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 48.1 tt0 -54.26 -42.41 69.92 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.039 -0.664 . . . . 50.0 110.642 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -110.6 -45.0 3.57 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.518 -0.31 . . . . 50.0 111.16 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 55' ' ' GLN . 34.5 p -70.31 -18.16 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.44 -0.345 . . . . 50.0 110.867 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 43.25 -150.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.422 -0.353 . . . . 50.0 110.402 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -54.7 -37.15 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.424 -0.353 . . . . 50.0 110.473 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.03 -0.986 . . . . 50.0 110.647 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.544 ' N ' ' OD1' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.813 HH22 ' N ' ' A' ' 31' ' ' ASN . 31.8 ptt85 -86.04 43.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.149 0.5 . . . . 0.0 110.36 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.936 HG21 ' O ' ' A' ' 45' ' ' ALA . 18.5 m -54.37 138.98 38.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.142 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' M3L . . . . . 0.878 ' HB2' ' HB2' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.508 HE22 ' HA ' ' A' ' 46' ' ' GLU . 10.2 pt20 -110.3 166.38 11.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.278 0.561 . . . . 0.0 111.837 -177.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 42.3 p -121.61 157.27 31.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.212 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.54 141.59 50.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.872 0.368 . . . . 0.0 110.779 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -133.83 161.0 35.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.714 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -64.78 174.48 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.771 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 72.7 m 60.41 65.8 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.763 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 7.4 t -135.09 157.6 46.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.432 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.48 -75.87 0.18 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.07 47.28 9.41 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.563 ' H ' ' HD2' ' B' ' 14' ' ' LYS . 1.0 OUTLIER -56.69 -35.46 68.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 110.313 -179.663 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.509 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . 0.51 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.412 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -53.38 144.83 48.29 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.663 2.242 . . . . 0.0 111.986 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.1 tp -57.92 -36.76 72.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.422 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 5' ' ' SER . . . 95.61 3.31 61.13 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.98 -0.848 . . . . 50.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 4' ' ' GLY . 26.4 m 38.59 96.5 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.814 0.34 . . . . 50.0 111.028 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 7' ' ' THR . 49.2 t0 -156.96 165.96 34.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 50.0 110.402 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.482 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 21.5 p -81.7 163.22 22.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 50.0 110.279 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -89.4 177.99 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.109 0.48 . . . . 50.0 110.706 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mt -121.66 166.61 14.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.491 -0.777 . . . . 50.0 110.712 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 43.2 m-85 -116.3 -99.58 0.44 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.348 0.594 . . . . 25.0 111.92 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 1.098 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -37.26 137.92 0.34 Allowed 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 122.53 1.157 . . . . 16.66 112.526 -178.193 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.768 HG23 ' CD1' ' A' ' 33' ' ' TYR . 18.3 pt -46.91 -6.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 CA-C-N 112.79 -2.005 . . . . 50.0 110.506 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.949 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -83.89 -31.19 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.402 -0.817 . . . . 16.66 110.641 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.707 ' CG ' ' O ' ' A' ' 14' ' ' LYS . 10.0 pttt 89.33 80.26 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.632 0.729 . . . . 25.0 111.531 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.499 HG22 ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -155.35 140.21 12.04 Favored Pre-proline 0 CA--C 1.539 0.53 0 O-C-N 121.903 -0.498 . . . . 50.0 111.195 -179.489 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.499 ' HD2' HG22 ' A' ' 15' ' ' THR . 21.1 Cg_endo -62.51 168.29 10.07 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 122.408 2.072 . . . . 50.0 111.488 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.693 ' HE1' ' HE1' ' A' ' 23' ' ' TYR . 1.5 t80 -73.83 133.26 43.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.58 0.705 . . . . 50.0 111.955 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.541 ' N ' ' CD1' ' A' ' 17' ' ' TYR . 48.8 t0 -140.39 144.21 36.09 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.418 -1.265 . . . . 50.0 108.681 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.75 9.28 1.52 Allowed 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.394 -0.523 . . . . 50.0 109.708 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 18' ' ' ASP . 54.7 p -96.21 -1.09 48.94 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.962 -0.755 . . . . 50.0 108.962 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.7 ' HG3' ' OH ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -130.51 139.69 50.5 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 114.744 -1.116 . . . . 50.0 108.968 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.479 ' CZ ' ' HA3' ' A' ' 35' ' ' GLY . 49.0 p90 -115.4 135.95 53.59 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 107.415 -1.328 . . . . 16.66 107.415 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.7 ' OH ' ' HG3' ' A' ' 21' ' ' LYS . 6.1 m-85 -111.4 174.04 6.06 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-O 124.173 1.94 . . . . 50.0 115.699 -175.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.076 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -143.11 125.21 12.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 CA-C-N 109.446 -3.524 . . . . 16.66 108.429 178.673 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.533 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -91.36 117.67 5.24 Favored Glycine 0 CA--C 1.533 1.182 0 N-CA-C 111.522 -0.631 . . . . 16.66 111.522 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.349 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 1.7 t -70.04 124.37 23.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.298 0.57 . . . . 16.66 109.975 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -44.66 -47.92 10.54 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.715 1.006 . . . . 25.0 113.715 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.434 HH11 ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -99.57 -31.7 11.47 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.396 -0.522 . . . . 50.0 111.094 -178.856 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.375 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -77.85 0.18 24.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.981 -1.118 . . . . 16.66 107.981 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.543 ' HA ' ' CZ ' ' B' ' 2' ' ' ARG . 5.1 pt20 30.67 23.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 112.85 -1.977 . . . . 16.66 115.593 177.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' CYS . 40.3 p-10 -135.17 170.29 16.14 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 119.457 1.026 . . . . 50.0 112.349 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.956 ' CD1' HM32 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -108.61 147.8 31.29 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 115.395 1.628 . . . . 16.66 115.395 -175.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.809 ' OH ' ' HB3' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -128.65 150.65 50.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.473 -0.785 . . . . 50.0 109.291 174.097 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.914 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 1.5 m80 -62.71 148.06 47.74 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 105.12 -2.178 . . . . 16.66 105.12 176.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' HA3' ' CZ ' ' A' ' 22' ' ' PHE . . . -48.38 -54.08 14.07 Favored Glycine 0 C--N 1.303 -1.263 0 C-N-CA 119.042 -1.551 . . . . 16.66 111.909 -178.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.425 ' H ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -76.42 -18.18 58.96 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.427 -0.509 . . . . 50.0 110.45 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 1.098 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -50.18 -33.08 17.98 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 119.145 -1.022 . . . . 16.66 108.532 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 m -119.06 20.8 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.148 -0.933 . . . . 16.66 110.839 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.4 46.37 93.12 Favored Glycine 0 N--CA 1.465 0.576 0 CA-C-N 115.635 -0.712 . . . . 16.66 111.58 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -102.66 167.61 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.292 0.567 . . . . 16.66 112.156 -178.54 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.722 HD22 ' N ' ' A' ' 41' ' ' LEU . 2.1 mm? -62.95 165.53 6.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.163 -0.926 . . . . 50.0 110.866 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -78.14 -54.79 5.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.601 -0.727 . . . . 25.0 109.866 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 45' ' ' ALA . 4.9 t -69.34 -15.1 63.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.938 -1.028 . . . . 50.0 109.741 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.864 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -42.39 -19.07 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.702 -0.681 . . . . 50.0 110.641 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.843 ' O ' HG21 ' B' ' 3' ' ' THR . . . -83.01 -41.97 18.07 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.473 -0.491 . . . . 25.0 111.226 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.549 ' C ' ' H ' ' A' ' 48' ' ' ILE . 69.5 tt0 -87.67 -53.82 4.58 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.834 1.05 . . . . 50.0 113.834 -178.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.864 HD11 ' HA ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -71.56 15.06 0.15 Allowed 'General case' 0 CA--C 1.492 -1.263 0 CA-C-O 121.064 0.459 . . . . 16.66 110.745 -179.072 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.804 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.4 OUTLIER -116.59 149.76 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.541 0 CA-C-N 115.472 -0.786 . . . . 25.0 112.94 -176.773 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.723 ' H ' HD13 ' A' ' 48' ' ' ILE . 58.6 t0 -154.07 -18.63 0.13 Allowed 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.406 -1.27 . . . . 50.0 110.224 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -119.26 26.19 9.62 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.883 -0.599 . . . . 50.0 110.173 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.542 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 35.9 t80 -67.16 146.94 53.72 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 119.934 -0.706 . . . . 16.66 110.064 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.542 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 3.2 t -135.99 152.24 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 115.399 -0.818 . . . . 50.0 110.211 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.375 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -67.23 163.2 48.18 Favored Pre-proline 0 CA--C 1.479 -1.779 0 CA-C-N 115.497 -0.774 . . . . 16.66 109.492 -178.793 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -82.61 -16.35 7.98 Favored 'Trans proline' 0 C--N 1.266 -3.813 0 C-N-CA 121.659 1.573 . . . . 16.66 108.535 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -87.43 -56.41 3.37 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 114.148 -1.387 . . . . 50.0 110.524 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 1.323 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER -66.88 -19.72 65.78 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.027 -0.669 . . . . 16.66 111.108 -179.357 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 52.0 tt0 -61.47 -33.58 74.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.87 0.367 . . . . 50.0 110.622 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.3 m -53.79 -37.13 63.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.055 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.0 m -59.65 -39.39 84.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 50.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.95 142.23 56.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 50.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -120.78 159.68 24.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.198 -0.456 . . . . 50.0 110.371 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.925 -1.036 . . . . 50.0 110.62 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.62 ' NH1' ' CZ3' ' A' ' 32' ' ' TRP . 25.9 mtm105 39.53 26.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.498 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.843 HG21 ' O ' ' A' ' 45' ' ' ALA . 33.4 m -52.5 132.77 35.53 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.473 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' M3L . . . . . 0.956 HM32 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.151 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -75.3 156.17 35.87 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.717 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.631 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 14.1 t -128.74 15.56 6.42 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.848 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' B' ' 6' ' ' THR . . . 78.44 165.98 0.21 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 57.3 ttm-85 -130.32 143.1 50.57 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.651 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -63.73 -57.24 10.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.493 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 65.0 p -165.34 177.05 7.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 111.079 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 32.2 p 38.5 -151.76 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.076 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.95 -132.22 26.06 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.8 125.47 7.08 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -99.71 146.34 26.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.65 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . 0.5 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.425 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.607 ' O ' ' C ' ' A' ' 3' ' ' LEU . 18.1 Cg_endo -59.12 153.88 49.39 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.834 2.356 . . . . 0.0 111.821 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.607 ' C ' ' O ' ' A' ' 2' ' ' PRO . 28.4 tp -3.13 -74.46 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.574 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 2' ' ' PRO . . . 144.97 124.47 1.72 Allowed Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.035 -0.826 . . . . 50.0 111.035 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.566 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 80.3 p -63.1 -29.65 70.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.667 0.27 . . . . 50.0 110.655 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.566 ' OD1' ' O ' ' A' ' 5' ' ' SER . 37.1 p30 30.51 46.82 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.029 -0.532 . . . . 50.0 111.31 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.5 p -83.83 159.27 21.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.19 0.519 . . . . 50.0 111.274 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.797 ' H ' ' CE ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -72.45 103.39 3.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.461 -0.79 . . . . 50.0 110.802 -179.674 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 4.7 mt -142.38 161.19 38.67 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 119.999 -0.68 . . . . 50.0 112.051 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.647 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 10.0 m-85 -75.47 -99.16 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.821 -1.081 . . . . 25.0 112.517 -178.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 22.5 t -35.5 136.16 0.23 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.97 0.89 . . . . 16.66 112.231 -178.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.76 HG23 ' CD2' ' A' ' 33' ' ' TYR . 22.2 pt -53.34 -7.13 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 113.805 -1.543 . . . . 50.0 107.669 177.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.993 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -87.53 -18.51 29.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.126 -1.852 . . . . 16.66 110.81 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 44.6 mtpt 77.76 79.13 0.07 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.445 -0.343 . . . . 25.0 111.923 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.593 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 24.8 p -148.3 150.7 35.27 Favored Pre-proline 0 N--CA 1.468 0.428 0 CA-C-O 120.699 0.285 . . . . 50.0 111.761 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.94 170.95 18.91 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 123.094 2.529 . . . . 50.0 111.896 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.647 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 1.0 OUTLIER -77.04 131.7 38.56 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 121.481 0.658 . . . . 50.0 110.731 -179.31 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.709 ' C ' ' H ' ' A' ' 20' ' ' SER . 78.6 m-20 -140.89 120.09 12.93 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 114.835 -1.075 . . . . 50.0 109.263 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.55 4.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.398 0.618 . . . . 50.0 109.373 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.709 ' H ' ' C ' ' A' ' 18' ' ' ASP . 62.0 m -98.21 -23.75 15.56 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 107.636 -1.246 . . . . 50.0 107.636 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.693 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -99.54 129.92 45.74 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 106.342 -1.725 . . . . 50.0 106.342 178.347 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 19.5 p90 -105.27 146.85 28.76 Favored 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 119.784 -0.767 . . . . 16.66 109.433 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.718 ' CG ' ' CM3' ' B' ' 4' ' ' M3L . 75.9 m-85 -124.27 171.95 9.47 Favored 'General case' 0 N--CA 1.433 -1.297 0 N-CA-C 116.762 2.134 . . . . 50.0 116.762 -174.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.984 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.15 129.22 9.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 109.168 -3.651 . . . . 16.66 106.333 177.034 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -95.46 124.25 7.93 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.587 -0.816 . . . . 16.66 113.972 -177.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.483 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.6 OUTLIER -48.94 113.36 0.77 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 107.782 -1.192 . . . . 16.66 107.782 176.721 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.514 ' CG ' ' O ' ' A' ' 51' ' ' TYR . 88.6 m-20 -62.97 -38.4 90.96 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 121.746 0.784 . . . . 25.0 109.083 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.621 ' HE ' ' CD ' ' A' ' 60' ' ' GLU . 34.9 ttm-85 -97.18 -36.73 10.35 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.291 -1.322 . . . . 50.0 110.875 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.309 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -79.61 -28.24 40.98 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.032 -0.667 . . . . 16.66 110.516 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.797 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 73.56 23.55 2.42 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.343 0.868 . . . . 16.66 113.343 178.702 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.5 ' OD1' ' OH ' ' A' ' 33' ' ' TYR . 4.6 p30 -134.84 171.36 14.5 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 121.53 -0.731 . . . . 50.0 112.449 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.993 ' CD1' HM12 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -118.3 148.47 42.42 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 116.754 2.131 . . . . 16.66 116.754 -174.228 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.76 ' CD2' HG23 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -140.22 162.44 35.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.118 -1.401 . . . . 50.0 109.66 174.162 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.693 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -72.73 138.61 46.66 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 105.28 -2.119 . . . . 16.66 105.28 176.331 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.537 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.09 -45.2 4.97 Favored Glycine 0 C--N 1.307 -1.057 0 C-N-CA 119.23 -1.462 . . . . 16.66 111.642 -177.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.9 OUTLIER -79.12 -19.49 50.99 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.312 -0.555 . . . . 50.0 109.772 179.34 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.993 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.4 t -51.42 -27.77 11.08 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 108.463 -0.94 . . . . 16.66 108.463 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.8 m -119.98 14.27 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 114.9 -1.045 . . . . 16.66 111.037 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 69.72 46.57 53.25 Favored Glycine 0 N--CA 1.462 0.405 0 CA-C-N 115.982 -0.554 . . . . 16.66 112.12 178.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.537 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -115.71 166.12 10.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 110.263 -0.273 . . . . 16.66 110.263 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.789 ' N ' ' OE2' ' A' ' 44' ' ' GLU . 9.1 mp -61.25 164.38 5.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.277 0.561 . . . . 50.0 109.976 178.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -78.51 -56.45 4.42 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.505 -0.771 . . . . 25.0 111.126 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.529 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 68.3 m -70.08 -15.43 62.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.973 -0.751 . . . . 50.0 108.973 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.793 ' HA ' HD11 ' A' ' 47' ' ' LEU . 2.4 tt0 -43.27 -18.84 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.329 -0.851 . . . . 50.0 111.361 -178.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.759 ' O ' HG21 ' B' ' 3' ' ' THR . . . -70.78 -46.28 63.2 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 120.319 -0.552 . . . . 25.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' OE1' ' HB3' ' B' ' 7' ' ' ALA . 96.7 mt-10 -87.67 -45.38 10.44 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.142 1.164 . . . . 50.0 114.142 -178.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.053 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -55.34 -24.48 29.46 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.086 0.402 . . . . 16.66 112.086 -177.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.053 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -85.49 171.97 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.366 0.603 . . . . 25.0 109.452 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.634 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 51.0 t0 -158.88 15.97 0.18 Allowed 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.976 -1.011 . . . . 50.0 109.688 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' N ' ' HB2' ' B' ' 1' ' ' ALA . 22.9 pt-20 -160.41 36.84 0.17 Allowed 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 107.254 -1.387 . . . . 50.0 107.254 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.68 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 19.9 t80 -67.09 146.79 53.92 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 114.981 -1.009 . . . . 16.66 111.155 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.68 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 13.0 t -137.31 159.21 35.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 113.624 -1.625 . . . . 50.0 108.457 177.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.483 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.9 p -80.35 159.44 69.99 Favored Pre-proline 0 N--CA 1.413 -2.305 0 CA-C-O 121.546 0.689 . . . . 16.66 109.904 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 20.1 Cg_endo -80.37 -25.04 4.97 Favored 'Trans proline' 0 C--N 1.275 -3.312 0 C-N-CA 121.974 1.782 . . . . 16.66 110.241 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.59 -34.44 72.17 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.817 -1.179 . . . . 50.0 107.817 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 1.18 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -82.83 -31.94 27.82 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 114.919 -1.037 . . . . 16.66 109.93 179.199 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.52 ' O ' ' O ' ' A' ' 60' ' ' GLU . 17.9 tt0 -51.55 -29.54 17.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.89 -0.596 . . . . 50.0 111.203 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 t -47.49 -33.1 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.69 -0.404 . . . . 50.0 110.492 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 80.7 p -104.85 -3.83 22.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.429 -0.351 . . . . 50.0 111.469 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.621 ' CD ' ' HE ' ' A' ' 28' ' ' ARG . 47.1 mt-10 -128.22 150.43 50.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.98 0.419 . . . . 50.0 111.136 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -58.03 -37.01 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 50.0 110.521 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.001 -1.0 . . . . 50.0 110.416 -179.893 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.634 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' A' ' 26' ' ' CYS . 11.7 ttm105 -100.5 47.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.918 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.759 HG21 ' O ' ' A' ' 45' ' ' ALA . 17.3 m -61.16 141.14 57.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.197 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' M3L . . . . . 0.993 HM12 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 CA--C 1.533 0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 109.273 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.576 ' CD ' ' H ' ' B' ' 5' ' ' GLN . 1.8 pm0 -59.55 151.22 24.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.609 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.7 p -108.07 18.0 21.69 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.453 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.426 ' HB3' ' OE1' ' A' ' 46' ' ' GLU . . . -122.12 -161.13 0.91 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.613 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.401 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 79.7 mtm180 -54.16 143.99 21.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' B' ' 10' ' ' SER . 17.1 ttmm -98.08 136.17 38.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.342 179.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.468 ' O ' ' O ' ' B' ' 9' ' ' LYS . 11.4 p 40.25 97.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.3 t -89.68 173.71 8.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.648 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.86 -29.1 33.34 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.82 65.68 1.09 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -63.33 134.77 56.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.739 0.304 . . . . 0.0 110.609 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.624 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . 0.458 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.52 -17.3 47.59 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.873 2.382 . . . . 0.0 111.932 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -90.89 132.4 35.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.398 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.38 43.47 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.843 -0.903 . . . . 50.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.549 ' C ' ' H ' ' A' ' 7' ' ' THR . 75.3 m -82.63 10.2 7.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.709 0.29 . . . . 50.0 110.64 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 t0 70.46 -23.06 0.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.193 -0.458 . . . . 50.0 110.748 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.549 ' H ' ' C ' ' A' ' 5' ' ' SER . 64.0 p -124.97 164.49 20.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 50.0 110.267 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -70.94 -175.78 1.21 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.372 0.606 . . . . 50.0 110.714 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.908 ' H ' HD12 ' A' ' 9' ' ' LEU . 3.7 mp -64.24 168.27 5.74 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.966 -1.016 . . . . 50.0 111.236 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.495 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 16.6 m-85 -60.38 -107.51 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.297 -0.865 . . . . 25.0 111.067 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.992 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -32.83 122.49 0.36 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.535 -1.211 . . . . 16.66 112.176 -179.324 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.75 HG23 ' CD1' ' A' ' 33' ' ' TYR . 22.6 pt -47.49 -6.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 113.15 -1.841 . . . . 50.0 109.692 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.949 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -86.67 -3.37 59.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.49 -1.232 . . . . 16.66 110.045 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 11' ' ' CYS . 44.5 mtpt 67.56 72.69 0.33 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.797 -0.638 . . . . 25.0 112.053 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.5 p -146.9 143.09 17.86 Favored Pre-proline 0 CA--C 1.533 0.322 0 C-N-CA 121.008 -0.277 . . . . 50.0 111.273 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.05 169.1 23.21 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.995 2.464 . . . . 50.0 111.499 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.755 ' CZ ' HM23 ' B' ' 4' ' ' M3L . 0.9 OUTLIER -65.77 129.53 40.09 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 121.45 0.643 . . . . 50.0 110.508 -179.47 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.708 ' C ' ' H ' ' A' ' 20' ' ' SER . 89.6 m-20 -140.48 119.03 12.27 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 114.806 -1.088 . . . . 50.0 108.959 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -56.2 3.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.376 -0.602 . . . . 50.0 109.376 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.708 ' H ' ' C ' ' A' ' 18' ' ' ASP . 66.9 m -95.47 -25.25 16.31 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 107.962 -1.125 . . . . 50.0 107.962 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.694 ' HZ3' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -99.1 131.49 45.1 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.012 -1.449 . . . . 50.0 107.464 178.523 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 52.4 p90 -108.14 135.45 49.47 Favored 'General case' 0 CA--C 1.498 -1.05 0 C-N-CA 119.53 -0.868 . . . . 16.66 110.033 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.662 ' HB2' ' HB2' ' B' ' 4' ' ' M3L . 72.2 m-85 -110.13 173.16 6.45 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 117.268 2.321 . . . . 50.0 117.268 -174.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.981 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -148.24 128.66 4.81 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 CA-C-N 109.202 -3.635 . . . . 16.66 106.602 177.375 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.521 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -89.57 125.62 7.91 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 120.913 -0.66 . . . . 16.66 114.354 -177.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.468 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -53.04 110.28 0.51 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.197 -1.409 . . . . 16.66 107.197 176.224 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.624 ' H ' ' HA ' ' A' ' 52' ' ' VAL . 60.3 t0 -60.83 -37.8 83.26 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.54 0.686 . . . . 25.0 109.482 -178.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.438 ' HG3' ' HB3' ' A' ' 56' ' ' CYS . 0.2 OUTLIER -97.77 -38.47 9.46 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 114.677 -1.147 . . . . 50.0 110.466 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.305 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.54 -28.24 51.88 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.041 -0.664 . . . . 16.66 110.406 -179.496 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.762 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER 75.56 21.39 1.75 Allowed 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.098 0.777 . . . . 16.66 113.098 178.773 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.601 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 25.8 p30 -135.14 172.07 13.53 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 118.76 0.709 . . . . 50.0 112.316 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.997 ' CD1' HM12 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -118.67 149.18 41.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 116.41 2.004 . . . . 16.66 116.41 -174.417 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.75 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -136.77 161.84 34.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.66 -1.154 . . . . 50.0 108.319 173.178 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.892 ' HD1' ' HG ' ' A' ' 37' ' ' CYS . 22.5 p-80 -82.68 141.33 32.53 Favored 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 106.036 -1.839 . . . . 16.66 106.036 176.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.496 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -40.11 -49.61 3.55 Favored Glycine 0 C--N 1.304 -1.22 0 C-N-CA 119.983 -1.103 . . . . 16.66 113.691 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.661 ' N ' ' CD ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -74.37 -20.41 60.09 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 117.878 0.839 . . . . 50.0 109.414 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.992 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -51.17 -29.99 15.48 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.385 -0.825 . . . . 16.66 108.78 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.27 13.78 4.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.147 -0.933 . . . . 16.66 110.884 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.14 45.75 78.65 Favored Glycine 0 N--CA 1.461 0.308 0 CA-C-N 115.639 -0.709 . . . . 16.66 112.055 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.496 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -107.55 167.63 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.933 0.396 . . . . 16.66 110.854 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.612 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.7 mp -61.35 164.76 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.948 -0.569 . . . . 50.0 110.409 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -78.26 -55.69 5.06 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.575 -0.739 . . . . 25.0 110.151 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.621 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 59.7 m -69.35 -15.87 63.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.412 -0.813 . . . . 50.0 109.205 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.716 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -42.01 -20.26 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 115.336 -0.847 . . . . 50.0 110.977 -178.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.732 ' O ' HG21 ' B' ' 3' ' ' THR . . . -73.12 -47.77 41.35 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 120.419 -0.512 . . . . 25.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -88.17 -41.7 12.81 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.292 1.219 . . . . 50.0 114.292 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.046 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.2 pp -55.99 -25.89 46.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.011 0.374 . . . . 16.66 112.011 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.046 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.2 pp -85.87 172.22 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.424 0.63 . . . . 25.0 109.728 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.777 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 49.5 t0 -159.59 10.82 0.12 Allowed 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.794 -1.093 . . . . 50.0 109.45 -178.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -158.77 40.85 0.24 Allowed 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 106.525 -1.657 . . . . 50.0 106.525 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.689 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 20.2 t80 -65.95 145.25 56.13 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 114.43 -1.259 . . . . 16.66 111.578 -178.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.689 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 12.9 t -133.92 159.46 42.39 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 113.394 -1.73 . . . . 50.0 108.427 177.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.468 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 6.3 p -81.6 159.38 66.87 Favored Pre-proline 0 N--CA 1.414 -2.253 0 CA-C-O 121.549 0.69 . . . . 16.66 110.138 -179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.512 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 26.5 Cg_endo -81.68 -24.05 4.46 Favored 'Trans proline' 0 C--N 1.278 -3.162 0 C-N-CA 122.01 1.807 . . . . 16.66 109.926 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 55' ' ' GLN . 1.9 tm0? -71.11 -36.12 72.04 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.343 -1.354 . . . . 50.0 107.343 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -76.67 -35.0 58.22 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.726 -1.125 . . . . 16.66 109.388 178.488 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.519 ' O ' ' O ' ' A' ' 60' ' ' GLU . 45.9 tt0 -56.77 -39.78 74.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.693 -0.685 . . . . 50.0 110.877 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.4 m -62.61 -49.37 75.49 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.56 -0.456 . . . . 50.0 110.075 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 56.2 m -74.34 -33.61 63.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.56 . . . . 50.0 110.372 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 56' ' ' CYS . 48.0 tp10 -86.78 137.81 32.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.757 -0.656 . . . . 50.0 110.89 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 62' ' ' ALA . 60.1 t0 -139.25 141.37 37.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.343 -0.39 . . . . 50.0 110.659 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.912 -1.042 . . . . 50.0 110.618 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.777 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.715 HH21 ' N ' ' A' ' 26' ' ' CYS . 18.1 mtm105 -99.73 22.07 11.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.48 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.732 HG21 ' O ' ' A' ' 45' ' ' ALA . 6.0 m -50.47 130.81 24.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.163 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' M3L . . . . . 0.997 HM12 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 C--N 1.33 -0.277 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.436 ' HG3' HG22 ' B' ' 3' ' ' THR . 70.9 mt-30 -99.66 151.89 20.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.914 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.06 116.62 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.871 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' B' ' 8' ' ' ARG . . . -171.85 145.04 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.257 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.503 ' O ' ' O ' ' B' ' 7' ' ' ALA . 32.8 ttm180 55.45 152.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.977 0.417 . . . . 0.0 110.586 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.535 ' O ' ' O ' ' B' ' 10' ' ' SER . 44.7 mtpt -80.76 160.52 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.314 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.535 ' O ' ' O ' ' B' ' 9' ' ' LYS . 6.0 m -54.42 -125.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.863 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 16.7 p -121.33 159.22 26.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.602 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.23 12.01 77.13 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.95 57.58 0.43 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -84.46 142.67 29.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.918 0.39 . . . . 0.0 110.478 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.636 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . 0.46 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.387 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -54.6 -20.1 20.26 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.726 2.284 . . . . 0.0 112.097 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 4' ' ' GLY . 0.3 OUTLIER -89.86 121.44 31.98 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.667 ' N ' HD13 ' A' ' 3' ' ' LEU . . . -101.47 136.64 12.85 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.344 -0.703 . . . . 50.0 111.344 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 t -61.01 -27.09 68.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.872 0.367 . . . . 50.0 110.689 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -60.18 134.93 57.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 50.0 110.791 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.6 p -81.96 163.96 21.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.968 -0.56 . . . . 50.0 110.693 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.599 ' HZ2' ' CG ' ' A' ' 14' ' ' LYS . 10.6 ptmt -74.15 -175.78 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.354 0.597 . . . . 50.0 111.324 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.806 HD12 ' N ' ' A' ' 9' ' ' LEU . 4.5 mp -62.26 -175.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.929 -1.032 . . . . 50.0 111.192 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.567 ' CD1' HM33 ' B' ' 4' ' ' M3L . 16.2 m-85 -60.49 -106.26 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.663 -0.699 . . . . 25.0 112.021 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 9.9 t -35.4 134.17 0.32 Allowed 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 122.026 0.917 . . . . 16.66 112.182 -178.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.788 HG23 ' CD2' ' A' ' 33' ' ' TYR . 19.3 pt -52.14 -7.28 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 113.803 -1.544 . . . . 50.0 108.382 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.984 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -87.1 -8.64 56.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.764 -1.562 . . . . 16.66 110.613 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.599 ' CG ' ' HZ2' ' A' ' 8' ' ' LYS . 57.1 mttp 71.49 78.67 0.17 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.171 -0.468 . . . . 25.0 112.1 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.6 149.69 21.73 Favored Pre-proline 0 N--CA 1.468 0.441 0 CA-C-O 120.778 0.323 . . . . 50.0 111.267 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.46 177.38 8.44 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 123.057 2.505 . . . . 50.0 112.348 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.624 ' CD1' HM21 ' B' ' 4' ' ' M3L . 1.0 OUTLIER -81.05 130.4 35.0 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.367 0.603 . . . . 50.0 110.372 -179.544 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.709 ' C ' ' H ' ' A' ' 20' ' ' SER . 79.7 m-20 -140.38 121.88 15.12 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.046 -0.979 . . . . 50.0 109.12 178.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.78 6.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.272 0.558 . . . . 50.0 109.552 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.709 ' H ' ' C ' ' A' ' 18' ' ' ASP . 17.8 m -101.62 -9.5 20.88 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 107.404 -1.332 . . . . 50.0 107.404 178.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.607 ' CE ' ' CD2' ' A' ' 34' ' ' HIS . 17.2 tptt -119.58 130.65 55.24 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 113.165 -1.834 . . . . 50.0 106.176 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 45' ' ' ALA . 51.9 p90 -108.3 145.3 34.6 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 119.446 -0.902 . . . . 16.66 110.046 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.939 ' CG ' HM23 ' B' ' 4' ' ' M3L . 41.1 m-85 -120.63 171.05 8.85 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 116.818 2.155 . . . . 50.0 116.818 -175.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.007 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -149.13 123.76 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 CA-C-N 108.827 -3.806 . . . . 16.66 106.152 176.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.52 ' C ' HH21 ' B' ' 2' ' ' ARG . . . -89.29 128.06 8.99 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 120.592 -0.813 . . . . 16.66 114.589 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.469 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -47.51 108.38 0.15 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 106.956 -1.498 . . . . 16.66 106.956 176.145 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -64.37 -33.66 76.36 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.009 0.909 . . . . 25.0 108.621 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.7 ttm-85 -99.59 -33.07 10.78 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 113.76 -1.564 . . . . 50.0 111.217 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.329 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -86.88 -29.05 22.46 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 119.902 -0.719 . . . . 16.66 110.79 -179.22 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.803 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.3 OUTLIER 85.45 15.47 0.15 Allowed 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.454 1.279 . . . . 16.66 114.454 178.021 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.752 ' N ' HH22 ' B' ' 2' ' ' ARG . 27.9 p-10 -135.57 170.97 15.13 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 120.057 1.299 . . . . 50.0 112.227 178.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.714 ' CH2' ' NH1' ' B' ' 2' ' ' ARG . 0.0 OUTLIER -116.01 151.41 35.53 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 116.36 1.985 . . . . 16.66 116.36 -175.109 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.788 ' CD2' HG23 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -140.49 163.91 31.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.612 -1.176 . . . . 50.0 108.636 173.284 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.727 ' O ' ' N ' ' A' ' 37' ' ' CYS . 0.4 OUTLIER -79.51 132.77 36.42 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 107.412 -1.329 . . . . 16.66 107.412 177.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.548 ' HA2' HG13 ' A' ' 38' ' ' VAL . . . -40.75 -37.68 1.38 Allowed Glycine 0 C--N 1.304 -1.214 0 C-N-CA 119.842 -1.17 . . . . 16.66 110.523 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.627 ' HD3' ' N ' ' A' ' 36' ' ' ARG . 2.2 mmt85 -70.67 -33.04 70.51 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.332 -0.988 . . . . 50.0 108.332 178.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 3.0 t -68.59 -49.36 59.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.974 -1.467 . . . . 16.66 110.652 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -80.12 -12.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.299 -1.319 . . . . 16.66 110.051 -179.516 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.94 45.85 8.1 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.547 -0.621 . . . . 16.66 111.547 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.499 HG23 ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -126.48 171.03 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.24 0.543 . . . . 16.66 112.176 -178.724 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.499 ' N ' HG23 ' A' ' 40' ' ' ILE . 18.4 mt -55.06 166.89 0.47 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.275 -0.875 . . . . 50.0 111.53 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -77.83 -54.0 6.84 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.088 -1.415 . . . . 25.0 110.341 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.55 ' O ' ' N ' ' A' ' 45' ' ' ALA . 23.0 m -72.41 -16.06 61.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.983 -1.008 . . . . 50.0 110.113 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.902 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.6 mm-40 -42.89 -17.61 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.032 -0.531 . . . . 50.0 110.48 179.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.843 ' O ' HG21 ' B' ' 3' ' ' THR . . . -81.05 -46.9 14.32 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.84 -0.618 . . . . 25.0 111.6 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.58 ' C ' ' H ' ' A' ' 48' ' ' ILE . 48.1 tp10 -87.15 -53.22 4.98 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.782 1.031 . . . . 50.0 113.782 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.902 HD11 ' HA ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -70.33 14.98 0.1 Allowed 'General case' 0 CA--C 1.491 -1.306 0 CA-C-O 121.068 0.461 . . . . 16.66 110.738 -178.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.791 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -109.74 148.2 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.573 0 CA-C-N 115.341 -0.845 . . . . 25.0 113.21 -176.048 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.761 ' H ' HD13 ' A' ' 48' ' ' ILE . 63.5 t0 -162.99 39.0 0.1 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.699 -1.137 . . . . 50.0 110.775 -178.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.828 ' N ' ' HB2' ' B' ' 1' ' ' ALA . 23.3 pt-20 -177.21 15.62 0.0 OUTLIER 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.011 -0.737 . . . . 50.0 109.011 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.618 ' OH ' ' HA ' ' A' ' 53' ' ' CYS . 1.6 t80 -69.22 148.15 50.26 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.541 -0.754 . . . . 16.66 111.602 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.602 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 20.6 t -132.68 159.53 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 114.443 -1.253 . . . . 50.0 108.537 177.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.469 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.7 p -76.75 156.91 82.55 Favored Pre-proline 0 N--CA 1.416 -2.162 0 CA-C-O 121.556 0.694 . . . . 16.66 110.241 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.47 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 47.0 Cg_endo -76.67 -26.27 8.51 Favored 'Trans proline' 0 C--N 1.273 -3.402 0 C-N-CA 121.779 1.653 . . . . 16.66 110.494 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -70.07 -34.92 73.78 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.208 -1.034 . . . . 50.0 108.208 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 1.17 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -83.31 -43.0 16.48 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.026 -0.988 . . . . 16.66 110.148 179.41 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -51.87 -33.04 34.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.816 -0.629 . . . . 50.0 110.887 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.4 m -51.23 -36.62 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.61 -0.436 . . . . 50.0 109.858 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.4 p -72.65 -36.58 68.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 50.0 110.162 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.97 144.57 56.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.158 -0.474 . . . . 50.0 110.537 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 55.58 45.73 24.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 50.0 110.68 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.97 -1.014 . . . . 50.0 110.606 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.828 ' HB2' ' N ' ' A' ' 50' ' ' GLU . . . . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.752 HH22 ' N ' ' A' ' 31' ' ' ASN . 25.0 ttp85 -82.92 31.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.661 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.843 HG21 ' O ' ' A' ' 45' ' ' ALA . 63.4 m -63.84 140.66 58.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.167 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' M3L . . . . . 0.939 HM23 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.334 -0.104 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -167.24 -179.86 4.74 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.108 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.4 t -60.38 171.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.533 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 42.33 71.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.575 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -58.32 -30.95 67.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.624 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -63.96 130.31 43.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.457 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 2.5 t 174.18 -39.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.25 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 42.3 m -57.63 -37.75 73.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.461 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.56 173.89 21.54 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.95 18.88 62.31 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -57.62 -34.71 69.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.758 0.313 . . . . 0.0 110.591 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.616 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . 0.454 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -53.28 140.96 61.36 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.76 2.307 . . . . 0.0 112.22 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.481 HD11 HG22 ' A' ' 7' ' ' THR . 28.3 tp -103.99 130.0 51.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.201 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.59 16.61 0.02 OUTLIER Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.942 -0.863 . . . . 50.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -142.69 -157.33 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.924 -0.398 . . . . 50.0 109.924 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -51.18 143.3 11.19 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.628 -0.508 . . . . 50.0 109.628 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.481 HG22 HD11 ' A' ' 3' ' ' LEU . 59.2 p -115.63 178.75 4.19 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.819 0.818 . . . . 50.0 112.083 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' HZ1' ' HB3' ' A' ' 14' ' ' LYS . 36.4 mtpt -77.23 -175.75 3.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.156 -1.384 . . . . 50.0 111.464 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.093 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -61.39 -171.27 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.878 -0.601 . . . . 50.0 111.844 -179.092 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.582 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 9.4 m-85 -43.06 -114.38 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.427 0.899 . . . . 25.0 113.427 -177.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.981 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 18.2 t -30.94 116.8 0.16 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.384 -1.28 . . . . 16.66 113.307 -177.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.715 HG23 ' CD1' ' A' ' 33' ' ' TYR . 12.5 pt -51.99 -11.48 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 112.958 -1.928 . . . . 50.0 108.937 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.989 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -79.88 6.32 11.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.878 -1.51 . . . . 16.66 110.772 -178.859 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' HB3' ' HZ1' ' A' ' 8' ' ' LYS . 8.2 mtmp? 69.18 54.53 0.43 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.123 -0.489 . . . . 25.0 111.786 179.067 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 p -146.21 125.27 6.57 Favored Pre-proline 0 CA--C 1.536 0.437 0 C-N-CA 120.538 -0.465 . . . . 50.0 111.511 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -71.46 -179.3 3.55 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.83 2.353 . . . . 50.0 111.313 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.613 ' CE2' ' CM2' ' B' ' 4' ' ' M3L . 0.6 OUTLIER -64.48 129.46 39.94 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.709 0.766 . . . . 50.0 111.357 -178.747 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.757 ' C ' ' H ' ' A' ' 20' ' ' SER . 86.7 m-20 -141.29 116.51 10.01 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.104 -1.407 . . . . 50.0 107.842 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.11 6.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.251 -0.579 . . . . 50.0 109.487 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.757 ' H ' ' C ' ' A' ' 18' ' ' ASP . 19.0 m -103.48 -7.2 21.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.874 -1.158 . . . . 50.0 107.874 178.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HG3' ' CB ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -119.92 134.16 55.33 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 113.828 -1.533 . . . . 50.0 107.674 179.588 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.796 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 29.2 p90 -106.74 152.8 23.33 Favored 'General case' 0 CA--C 1.497 -1.077 0 C-N-CA 119.786 -0.765 . . . . 16.66 109.479 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.909 ' CG ' HM32 ' B' ' 4' ' ' M3L . 51.4 m-85 -129.35 175.72 8.52 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 116.351 1.982 . . . . 50.0 116.351 -175.037 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.982 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -148.18 134.97 13.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 CA-C-N 109.735 -3.393 . . . . 16.66 106.632 177.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.96 128.9 9.67 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 120.88 -0.676 . . . . 16.66 113.974 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.326 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 1.8 t -55.81 108.14 0.42 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.059 -1.089 . . . . 16.66 108.059 177.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.573 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 57.6 t0 -56.65 -35.46 68.39 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 120.992 0.425 . . . . 25.0 110.508 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.704 ' HE ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -103.98 -31.94 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 50.0 110.69 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.326 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -81.7 -28.21 33.59 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 120.187 -0.605 . . . . 16.66 110.031 -179.525 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.728 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 74.19 20.5 2.68 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.484 0.92 . . . . 16.66 113.484 178.297 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.419 ' H ' ' CB ' ' A' ' 26' ' ' CYS . 52.9 p-10 -134.37 171.94 13.59 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.957 -0.697 . . . . 50.0 111.338 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.796 ' CG ' HM33 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -118.78 153.6 34.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 116.184 1.92 . . . . 16.66 116.184 -174.718 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.758 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -140.24 158.44 44.03 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 113.364 -1.744 . . . . 50.0 106.385 172.803 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.806 ' ND1' ' SG ' ' A' ' 37' ' ' CYS . 18.1 p-80 -79.57 148.07 31.88 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 116.505 -2.078 . . . . 16.66 107.364 177.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.568 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -39.06 -61.74 1.35 Allowed Glycine 0 C--N 1.307 -1.053 0 C-N-CA 120.086 -1.055 . . . . 16.66 113.649 -173.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.543 ' HD2' ' NE2' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -68.77 -17.65 64.07 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 119.715 -0.794 . . . . 50.0 110.082 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.989 ' SG ' ' CB ' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -49.47 -33.68 14.92 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.573 -0.899 . . . . 16.66 108.573 179.62 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.1 m -117.29 16.52 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.935 -1.03 . . . . 16.66 110.506 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 70.84 46.2 47.06 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.321 -0.854 . . . . 16.66 112.542 178.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.568 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -114.67 167.94 6.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.12 0.486 . . . . 16.66 110.767 -179.839 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.527 ' N ' HG23 ' A' ' 40' ' ' ILE . 44.2 mt -61.85 164.94 5.78 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.612 -0.722 . . . . 50.0 110.128 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -78.61 -55.69 5.0 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.531 -0.759 . . . . 25.0 110.634 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.621 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 70.1 m -69.56 -15.27 63.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.507 -0.77 . . . . 50.0 109.072 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.775 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -41.55 -19.94 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 115.327 -0.851 . . . . 50.0 111.004 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.718 ' O ' HG21 ' B' ' 3' ' ' THR . . . -73.8 -47.56 37.82 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 120.59 -0.444 . . . . 25.0 111.234 -179.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -86.48 -43.99 12.33 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.774 1.027 . . . . 50.0 113.774 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.059 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.1 pp -55.82 -24.85 38.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.096 0.406 . . . . 16.66 112.096 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.059 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -86.16 172.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 121.71 0.766 . . . . 25.0 109.981 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.409 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 22.4 t70 -158.67 8.25 0.13 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.505 -1.225 . . . . 50.0 109.274 -178.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' H ' ' H ' ' A' ' 49' ' ' ASP . 30.3 mt-10 -153.69 36.9 0.45 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.018 -1.446 . . . . 50.0 107.244 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.669 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 23.6 t80 -66.18 146.3 54.79 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 122.026 0.917 . . . . 16.66 110.872 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.669 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 21.2 t -137.27 158.8 35.76 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-N 113.687 -1.597 . . . . 50.0 109.204 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.002 ' SG ' ' CB ' ' A' ' 56' ' ' CYS . 4.5 p -77.13 161.44 73.17 Favored Pre-proline 0 N--CA 1.417 -2.108 0 CA-C-O 121.37 0.605 . . . . 16.66 109.45 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 16.2 Cg_endo -81.76 -28.46 2.14 Favored 'Trans proline' 0 C--N 1.278 -3.14 0 C-N-CA 121.954 1.77 . . . . 16.66 111.088 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -71.98 -31.65 66.48 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.184 -1.413 . . . . 50.0 107.184 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 1.19 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 7.6 m -65.03 -56.15 14.78 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.18 -1.373 . . . . 16.66 110.325 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 38.9 tt0 -53.2 -29.19 30.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.249 -0.887 . . . . 50.0 110.904 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.1 t -58.28 -37.48 75.08 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.703 -0.399 . . . . 50.0 110.664 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.531 ' OG1' ' NH1' ' A' ' 28' ' ' ARG . 55.8 p -106.14 -29.4 9.88 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.969 0.359 . . . . 50.0 111.969 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' A' ' 59' ' ' THR . 91.9 mt-10 57.53 126.25 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.834 0.349 . . . . 50.0 110.741 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.704 ' N ' ' HE ' ' A' ' 28' ' ' ARG . 53.6 t0 -59.35 -35.77 74.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 50.0 110.414 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.0 -1.0 . . . . 50.0 110.496 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.409 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.573 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 32.7 mtm180 35.58 48.66 0.46 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.626 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.718 HG21 ' O ' ' A' ' 45' ' ' ALA . 28.2 m -65.37 138.56 58.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.062 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' M3L . . . . . 0.909 HM32 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.591 ' CD ' ' H ' ' B' ' 5' ' ' GLN . 1.5 pm0 -93.98 170.55 9.46 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.31 -178.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 38.4 p -109.17 66.28 0.63 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.828 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 44.12 86.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.018 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -126.61 145.06 50.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.203 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -119.95 136.08 54.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 49.5 m -128.83 151.29 49.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.573 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 39.7 m -57.31 -37.84 73.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.548 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.01 -154.87 26.98 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.49 6.19 15.48 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 12.2 tptp 61.77 51.51 3.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.77 0.319 . . . . 0.0 110.527 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.562 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -54.93 -12.65 5.1 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.918 2.412 . . . . 0.0 112.171 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.762 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.4 mp -81.18 135.13 35.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.857 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.41 -22.65 59.15 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.007 -0.837 . . . . 50.0 111.007 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 m -52.99 -34.31 55.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.518 0.199 . . . . 50.0 110.973 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -126.2 126.54 44.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.774 0.321 . . . . 50.0 110.965 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.0 p -121.62 171.75 8.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.083 -0.508 . . . . 50.0 109.858 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.52 ' HZ2' ' HG2' ' A' ' 14' ' ' LYS . 7.0 ptmt -122.17 -175.91 3.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.042 -0.526 . . . . 50.0 111.48 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.952 ' H ' HD12 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -60.98 -176.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.493 -0.776 . . . . 50.0 111.266 -178.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.61 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 10.0 m-85 -54.46 -106.16 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.692 -0.685 . . . . 25.0 110.634 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 36.6 t -36.85 133.48 0.58 Allowed 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 122.005 0.907 . . . . 16.66 112.379 -179.091 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.749 HG23 ' CD1' ' A' ' 33' ' ' TYR . 12.5 pt -55.57 -7.08 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 113.62 -1.627 . . . . 50.0 108.101 177.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.953 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -84.24 -12.28 55.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 113.612 -1.631 . . . . 16.66 111.601 -179.053 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.52 ' HG2' ' HZ2' ' A' ' 8' ' ' LYS . 34.2 mtmt 78.29 78.61 0.07 Allowed 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 111.948 0.351 . . . . 25.0 111.948 179.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.52 141.62 7.98 Favored Pre-proline 0 CA--C 1.535 0.371 0 C-N-CA 120.903 -0.319 . . . . 50.0 110.895 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.26 -165.92 0.27 Allowed 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.764 2.309 . . . . 50.0 111.906 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.763 ' CE1' HM23 ' B' ' 4' ' ' M3L . 0.8 OUTLIER -86.08 130.93 34.38 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 121.716 0.769 . . . . 50.0 110.969 -179.191 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.74 ' C ' ' H ' ' A' ' 20' ' ' SER . 90.6 m-20 -140.76 116.84 10.53 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 114.415 -1.266 . . . . 50.0 108.247 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -57.43 8.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.291 0.567 . . . . 50.0 109.692 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.74 ' H ' ' C ' ' A' ' 18' ' ' ASP . 31.7 m -101.68 -12.28 18.52 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 107.452 -1.314 . . . . 50.0 107.452 178.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.523 ' HE2' ' CD2' ' A' ' 34' ' ' HIS . 14.0 tptt -115.26 131.08 57.04 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 113.575 -1.648 . . . . 50.0 106.612 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.61 ' CZ ' ' OE1' ' A' ' 42' ' ' GLN . 46.1 p90 -109.55 142.8 40.1 Favored 'General case' 0 CA--C 1.494 -1.21 0 C-N-CA 119.778 -0.769 . . . . 16.66 109.567 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.989 ' CG ' HM32 ' B' ' 4' ' ' M3L . 38.6 m-85 -119.35 173.81 6.74 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 117.024 2.231 . . . . 50.0 117.024 -174.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.01 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -145.02 134.49 18.32 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 CA-C-N 108.989 -3.732 . . . . 16.66 106.862 177.529 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.94 123.96 7.78 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 120.417 -0.897 . . . . 16.66 113.496 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.326 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 1.8 t -48.09 118.24 2.29 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.504 -0.924 . . . . 16.66 108.504 177.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.712 ' HB2' HG22 ' A' ' 52' ' ' VAL . 51.8 t0 -53.1 -37.03 61.36 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.528 -0.469 . . . . 25.0 110.429 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.61 -37.95 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.807 -0.633 . . . . 50.0 110.2 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.326 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -72.53 0.44 10.39 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.391 0.615 . . . . 16.66 109.543 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.551 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 4.6 pt20 31.43 33.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.784 -1.098 . . . . 16.66 112.906 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.543 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 22.0 p30 -134.39 171.2 14.61 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 120.467 -0.493 . . . . 50.0 111.021 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.838 ' CB ' HM33 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -121.8 151.65 40.37 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 116.993 2.22 . . . . 16.66 116.993 -174.045 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.749 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -141.12 166.03 25.92 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 113.705 -1.589 . . . . 50.0 109.454 173.639 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -73.67 141.33 46.46 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 106.06 -1.83 . . . . 16.66 106.06 176.421 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.504 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.33 -46.64 5.52 Favored Glycine 0 C--N 1.305 -1.153 0 C-N-CA 119.595 -1.288 . . . . 16.66 111.379 -178.009 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.502 ' H ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -78.8 -19.68 51.58 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.189 -0.604 . . . . 50.0 109.765 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 4.0 t -51.68 -28.21 14.02 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 119.588 -0.845 . . . . 16.66 108.858 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.3 m -116.72 9.92 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.071 -0.968 . . . . 16.66 110.684 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 75.21 46.08 17.2 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.676 -0.693 . . . . 16.66 112.512 178.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.543 ' CG2' ' HG2' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -115.77 168.24 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.169 0.509 . . . . 16.66 110.83 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.531 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 66.0 mt -63.38 162.33 12.56 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.581 -0.736 . . . . 50.0 111.252 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.61 ' OE1' ' CZ ' ' A' ' 22' ' ' PHE . 2.5 tp-100 -80.39 -55.45 4.88 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.709 0.766 . . . . 25.0 108.933 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.575 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 49.0 m -57.26 -13.99 3.85 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 114.75 -1.114 . . . . 50.0 108.467 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.946 ' O ' HG13 ' A' ' 48' ' ' ILE . 2.5 pp20? -40.82 -52.22 3.05 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 114.934 -1.03 . . . . 50.0 110.409 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.77 ' N ' ' CD ' ' A' ' 44' ' ' GLU . . . -54.86 -36.3 64.95 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 114.705 -1.134 . . . . 25.0 111.43 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' SER . 95.9 mt-10 -89.54 -7.85 54.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.449 1.278 . . . . 50.0 114.449 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.77 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.7 pp -116.28 -20.98 9.54 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 115.122 1.527 . . . . 16.66 115.122 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.946 HG13 ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -86.48 171.08 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-O 121.496 0.665 . . . . 25.0 110.261 -179.324 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -167.91 18.68 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.848 -1.069 . . . . 50.0 109.029 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.479 ' CA ' ' HB2' ' B' ' 1' ' ' ALA . 23.1 pt-20 -160.56 29.07 0.16 Allowed 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 106.75 -1.574 . . . . 50.0 106.75 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.658 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 3.6 t80 -66.83 147.93 52.61 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 114.622 -1.172 . . . . 16.66 110.179 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.712 HG22 ' HB2' ' A' ' 27' ' ' ASP . 21.3 t -134.11 159.52 42.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 CA-C-N 113.957 -1.474 . . . . 50.0 109.098 178.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.018 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 6.3 p -79.83 158.36 73.01 Favored Pre-proline 0 N--CA 1.411 -2.386 0 N-CA-C 109.225 -0.657 . . . . 16.66 109.225 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.516 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 32.8 Cg_endo -77.17 -30.61 4.18 Favored 'Trans proline' 0 C--N 1.272 -3.474 0 C-N-CA 121.766 1.644 . . . . 16.66 110.642 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -70.17 -31.52 69.04 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.718 -0.845 . . . . 50.0 108.718 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 1.199 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.6 OUTLIER -73.95 -51.83 14.77 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.565 -0.743 . . . . 16.66 110.412 179.723 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -52.18 -33.19 39.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.988 -0.551 . . . . 50.0 110.859 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.0 t -54.09 -30.45 48.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.161 -0.472 . . . . 50.0 110.887 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.405 ' O ' ' OG1' ' A' ' 59' ' ' THR . 2.8 t -145.41 24.28 1.42 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.586 -0.446 . . . . 50.0 112.113 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' CYS . 85.2 tt0 -52.49 -34.71 50.61 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.301 -0.56 . . . . 50.0 110.144 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 50.8 t0 45.78 45.37 11.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 50.0 110.885 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.063 -0.97 . . . . 50.0 110.572 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.479 ' HB2' ' CA ' ' A' ' 50' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.583 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 3.4 mtm105 -92.12 40.49 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.513 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 16.2 m -56.64 126.05 24.95 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' M3L . . . . . 0.989 HM32 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.476 0.655 . . . . 0.0 110.661 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' B' ' 7' ' ' ALA . 28.2 mt-30 -88.84 162.25 16.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.11 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.439 ' C ' ' O ' ' B' ' 5' ' ' GLN . 0.0 OUTLIER -32.51 89.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.026 -179.772 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' B' ' 5' ' ' GLN . . . -176.29 122.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.234 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.453 ' CG ' ' H ' ' B' ' 9' ' ' LYS . 14.7 tpt180 -159.02 -136.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.08 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' B' ' 10' ' ' SER . 25.4 tttm -136.75 -33.23 0.79 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.52 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.467 ' O ' ' O ' ' B' ' 9' ' ' LYS . 52.1 p 56.04 118.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.722 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 49.7 m -118.2 141.99 47.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.395 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.47 -166.64 17.26 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.51 33.04 23.39 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -83.16 145.96 28.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.82 0.343 . . . . 0.0 110.513 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.594 -179.894 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . 0.41 'ZN ' ' HG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -55.18 -21.73 29.37 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.697 2.265 . . . . 0.0 112.245 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.6 mt -90.59 134.26 34.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.577 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.05 42.19 78.14 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.979 -0.848 . . . . 50.0 110.979 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -56.98 -50.14 73.61 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.888 -0.325 . . . . 50.0 111.04 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -179.9 -80.33 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.12 0 CA-C-O 120.839 0.352 . . . . 50.0 111.196 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.1 m -81.44 143.94 31.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.294 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -108.77 -177.55 3.34 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.914 -0.584 . . . . 50.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 mt -63.31 174.39 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.853 -0.612 . . . . 50.0 111.867 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.429 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 25.1 m-85 -111.56 -103.66 0.39 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.227 -0.897 . . . . 25.0 110.789 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 1.231 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -36.42 120.52 0.67 Allowed 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.316 1.055 . . . . 16.66 110.597 -179.266 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.67 HG23 ' CD1' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -43.92 -5.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 CA-C-N 112.767 -2.015 . . . . 50.0 110.691 -178.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.998 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -80.88 -22.0 40.18 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.995 -0.548 . . . . 16.66 109.818 177.445 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.719 ' CG ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 89.81 80.2 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.842 1.053 . . . . 25.0 113.842 177.844 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.595 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 1.1 p -156.62 144.96 14.45 Favored Pre-proline 0 N--CA 1.472 0.64 0 CA-C-N 116.229 -0.441 . . . . 50.0 110.563 177.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.35 -173.82 0.88 Allowed 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.784 2.323 . . . . 50.0 111.898 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.825 ' CD1' HM23 ' B' ' 4' ' ' M3L . 0.9 OUTLIER -82.92 129.22 34.99 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.55 0.69 . . . . 50.0 111.098 -179.315 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.732 ' C ' ' H ' ' A' ' 20' ' ' SER . 88.5 m-20 -140.98 117.33 10.73 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.694 -1.139 . . . . 50.0 109.269 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -57.05 4.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.072 -0.714 . . . . 50.0 109.072 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.732 ' H ' ' C ' ' A' ' 18' ' ' ASP . 69.4 m -98.55 -4.03 35.08 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 107.835 -1.172 . . . . 50.0 107.835 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.834 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 1.2 tptm -124.28 130.89 53.3 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 113.702 -1.59 . . . . 50.0 107.202 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -111.04 132.99 53.77 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-O 121.813 0.816 . . . . 16.66 110.888 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.808 ' CG ' HM32 ' B' ' 4' ' ' M3L . 7.1 m-85 -110.22 176.54 5.01 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 124.369 2.033 . . . . 50.0 115.74 -176.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.021 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -149.55 129.76 4.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 109.092 -3.685 . . . . 16.66 106.866 178.56 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.5 126.58 8.07 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 120.885 -0.674 . . . . 16.66 113.671 -177.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.351 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 2.2 t -54.39 110.51 0.63 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.777 0.831 . . . . 16.66 109.858 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.536 ' OD2' ' NH1' ' A' ' 28' ' ' ARG . 65.7 t0 -48.98 -43.28 39.88 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 120.602 -0.439 . . . . 25.0 111.993 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.825 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -113.46 -15.95 12.51 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 119.89 -0.724 . . . . 50.0 110.311 178.69 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.351 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -80.85 -28.31 36.15 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 118.724 -1.191 . . . . 16.66 108.023 178.109 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.678 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.6 OUTLIER 80.79 8.07 1.25 Allowed 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 115.83 1.789 . . . . 16.66 115.83 176.115 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.8 p30 -135.86 173.23 11.94 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 120.799 1.636 . . . . 50.0 114.517 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.775 ' CB ' HM33 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -101.6 147.03 26.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 116.851 2.167 . . . . 16.66 116.851 -174.793 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.721 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -139.21 154.77 48.08 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.026 -1.443 . . . . 50.0 108.684 171.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.9 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -73.97 135.93 43.21 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 105.826 -1.916 . . . . 16.66 105.826 176.163 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.518 ' HA3' HG22 ' A' ' 40' ' ' ILE . . . -42.85 -59.01 3.42 Favored Glycine 0 C--N 1.305 -1.171 0 C-N-CA 119.686 -1.245 . . . . 16.66 112.299 -177.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -64.09 -33.07 74.92 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.401 0.62 . . . . 50.0 110.048 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 1.231 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 48.1 t -55.57 -16.28 3.8 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.024 -0.989 . . . . 16.66 109.509 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.572 HG12 ' CD1' ' A' ' 12' ' ' ILE . 1.3 m -129.38 8.68 2.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 115.73 -0.668 . . . . 16.66 110.367 177.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.03 48.11 10.33 Favored Glycine 0 C--N 1.337 0.605 0 CA-C-N 115.968 -0.56 . . . . 16.66 113.19 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.518 HG22 ' HA3' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -113.22 167.11 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 120.032 -0.667 . . . . 16.66 111.107 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.563 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.3 mp -62.1 165.33 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.765 -0.652 . . . . 50.0 110.152 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -77.9 -55.2 5.5 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.741 -0.663 . . . . 25.0 110.393 -178.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.564 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 53.3 m -70.85 -15.33 62.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.599 -0.728 . . . . 50.0 109.335 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.746 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -41.62 -21.09 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.229 -0.896 . . . . 50.0 111.178 -178.575 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.716 ' O ' HG21 ' B' ' 3' ' ' THR . . . -67.08 -53.58 29.66 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 120.419 -0.512 . . . . 25.0 111.088 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -86.84 -40.02 15.31 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.665 1.357 . . . . 50.0 114.665 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.027 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -56.32 -24.68 45.24 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.272 0.842 . . . . 16.66 113.272 -176.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.027 ' N ' HD12 ' A' ' 47' ' ' LEU . 1.4 pp -85.42 171.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.856 0.836 . . . . 25.0 110.394 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 49' ' ' ASP . 33.5 t0 -164.15 13.83 0.05 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.156 -1.384 . . . . 50.0 108.532 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -159.69 35.23 0.19 Allowed 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 113.467 -1.697 . . . . 50.0 106.426 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.751 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 14.8 t80 -66.37 148.57 51.68 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 114.851 -1.068 . . . . 16.66 110.842 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.751 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 21.3 t -137.53 158.88 34.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 113.482 -1.69 . . . . 50.0 109.661 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.03 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 5.3 p -76.72 160.86 75.95 Favored Pre-proline 0 N--CA 1.411 -2.394 0 N-CA-C 109.197 -0.668 . . . . 16.66 109.197 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.539 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 33.5 Cg_endo -78.63 -32.91 1.91 Allowed 'Trans proline' 0 C--N 1.272 -3.468 0 C-N-CA 121.44 1.427 . . . . 16.66 110.191 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -68.11 -36.99 80.64 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.144 -0.687 . . . . 50.0 109.144 176.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 1.129 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -74.23 -23.02 59.11 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 109.859 -0.423 . . . . 16.66 109.859 179.134 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -51.07 -39.44 56.04 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.852 -0.425 . . . . 50.0 109.852 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.506 ' O ' ' OG1' ' A' ' 59' ' ' THR . 8.5 t -79.24 10.36 3.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.828 -0.624 . . . . 50.0 109.48 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 61' ' ' ASP . 5.4 p 67.33 63.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.742 -0.663 . . . . 50.0 110.323 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 59' ' ' THR . 14.7 pt-20 29.95 34.03 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.488 -0.778 . . . . 50.0 112.144 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 59' ' ' THR . 95.7 m-20 -56.67 -37.42 70.81 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.646 -0.421 . . . . 50.0 110.513 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.936 -1.031 . . . . 50.0 110.533 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' B' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.694 ' NH2' ' O ' ' A' ' 26' ' ' CYS . 61.8 mtm-85 32.65 50.31 0.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.41 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.716 HG21 ' O ' ' A' ' 45' ' ' ALA . 26.5 m -61.88 134.9 57.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' M3L . . . . . 0.825 HM23 ' CD1' ' A' ' 17' ' ' TYR . . . . . . . . 0 C--N 1.323 -0.582 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -97.0 164.2 12.63 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.048 0.451 . . . . 0.0 111.443 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.41 HG22 ' H ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -87.64 85.22 7.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.503 179.532 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.44 72.29 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.076 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -153.5 -175.26 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.545 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -44.43 135.42 4.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.276 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 32.5 t -118.66 144.54 46.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.688 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 62.9 m -119.04 144.16 46.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.374 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.29 -124.17 10.91 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.39 161.13 25.26 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -93.05 142.74 26.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 110.588 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.619 -179.885 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.448 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -53.44 144.21 51.64 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.743 2.295 . . . . 0.0 111.928 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.8 mt 52.22 30.57 8.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.669 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.98 46.17 1.19 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.867 -0.893 . . . . 50.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -61.06 -25.39 66.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.682 0.277 . . . . 50.0 110.922 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -56.33 163.67 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.419 -0.355 . . . . 50.0 110.43 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.7 m -81.74 130.0 34.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.936 0.398 . . . . 50.0 110.766 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -137.11 -176.62 4.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.783 -0.644 . . . . 50.0 110.177 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.9 mt -62.61 160.91 13.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.105 0.479 . . . . 50.0 110.584 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.649 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 6.1 m-85 -83.71 -95.0 0.06 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.948 0.88 . . . . 25.0 109.836 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 1.079 ' SG ' ' CB ' ' A' ' 13' ' ' CYS . 20.0 t -36.86 125.54 0.89 Allowed 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 113.677 -1.601 . . . . 16.66 112.169 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.783 HG23 ' CD1' ' A' ' 33' ' ' TYR . 19.6 pt -53.64 -6.81 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 N-CA-C 107.183 -1.414 . . . . 50.0 107.183 178.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.079 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -88.0 -16.41 33.78 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 113.474 -1.694 . . . . 16.66 110.991 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 61.1 mttm 80.73 79.44 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.762 0.653 . . . . 25.0 112.762 178.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -150.86 145.66 18.48 Favored Pre-proline 0 CA--C 1.538 0.497 0 C-N-CA 120.736 -0.385 . . . . 50.0 111.581 179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.82 170.68 19.49 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 123.178 2.585 . . . . 50.0 111.654 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.673 ' CZ ' ' CM3' ' B' ' 4' ' ' M3L . 0.9 OUTLIER -74.16 129.44 37.83 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 121.67 0.748 . . . . 50.0 111.35 -178.684 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.722 ' C ' ' H ' ' A' ' 20' ' ' SER . 77.3 m-20 -140.69 119.77 12.81 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.377 -1.283 . . . . 50.0 109.073 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.67 3.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.283 0.563 . . . . 50.0 109.541 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.722 ' H ' ' C ' ' A' ' 18' ' ' ASP . 55.9 m -95.27 -28.07 15.18 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 107.998 -1.112 . . . . 50.0 107.998 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.644 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -90.18 131.6 35.93 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.129 -1.396 . . . . 50.0 107.84 178.193 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.466 ' CE1' ' NE2' ' A' ' 42' ' ' GLN . 18.0 p90 -106.11 138.16 42.78 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.932 -0.766 . . . . 16.66 108.932 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.877 ' CD2' HM12 ' B' ' 4' ' ' M3L . 88.6 m-85 -116.99 169.66 9.24 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 117.142 2.275 . . . . 50.0 117.142 -174.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.026 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -143.22 128.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 CA-C-N 109.261 -3.609 . . . . 16.66 106.353 176.208 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.584 ' H ' ' HA ' ' B' ' 3' ' ' THR . . . -96.26 125.39 8.41 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 120.537 -0.84 . . . . 16.66 113.306 -177.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.3 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 1.2 t -47.53 119.68 2.86 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.769 -0.716 . . . . 16.66 109.677 178.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.712 ' HB2' HG22 ' A' ' 52' ' ' VAL . 58.6 t0 -53.46 -41.83 66.57 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.363 -0.535 . . . . 25.0 110.565 -179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.52 -17.33 11.74 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 120.459 -0.496 . . . . 50.0 110.971 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.3 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -90.19 0.85 56.99 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 108.575 -0.898 . . . . 16.66 108.575 179.035 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.621 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 5.0 pt20 31.94 36.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 113.94 -1.482 . . . . 16.66 113.982 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.597 ' OD1' ' OH ' ' A' ' 33' ' ' TYR . 16.6 p30 -135.18 171.2 14.77 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 119.975 -0.69 . . . . 50.0 111.302 177.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.809 ' CG ' HM13 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -119.92 153.0 36.54 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 117.393 2.368 . . . . 16.66 117.393 -173.137 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.783 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -142.07 159.75 41.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 113.507 -1.679 . . . . 50.0 110.25 174.727 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.783 ' CE1' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -67.31 146.45 54.1 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 104.025 -2.583 . . . . 16.66 104.025 174.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.548 ' C ' HG22 ' A' ' 40' ' ' ILE . . . -45.95 -51.42 10.9 Favored Glycine 0 C--N 1.304 -1.225 0 C-N-CA 118.791 -1.671 . . . . 16.66 110.728 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' H ' ' HG3' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -75.39 -18.69 59.88 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 120.763 -0.375 . . . . 50.0 110.18 179.563 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 1.065 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 3.0 t -49.84 -29.64 8.39 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.393 -0.966 . . . . 16.66 108.393 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.2 m -115.97 15.33 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.79 -1.095 . . . . 16.66 110.612 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.49 46.27 33.31 Favored Glycine 0 N--CA 1.462 0.432 0 CA-C-N 115.705 -0.68 . . . . 16.66 112.366 178.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.548 HG22 ' C ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -120.39 168.09 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.086 0.469 . . . . 16.66 111.468 -179.443 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.502 ' N ' HG23 ' A' ' 40' ' ' ILE . 63.8 mt -61.07 165.87 3.97 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.613 -0.721 . . . . 50.0 110.402 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.466 ' NE2' ' CE1' ' A' ' 22' ' ' PHE . 8.3 tp60 -79.55 -55.9 4.7 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.415 -0.811 . . . . 25.0 110.976 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.584 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 72.7 m -67.61 -15.26 63.56 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.264 -0.88 . . . . 50.0 109.036 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.748 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -42.07 -19.94 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 115.29 -0.868 . . . . 50.0 110.288 -179.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.625 ' O ' HG21 ' B' ' 3' ' ' THR . . . -74.52 -45.04 48.31 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.905 -0.589 . . . . 25.0 110.626 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' SER . 46.8 tp10 -86.95 -45.71 10.54 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.839 1.052 . . . . 50.0 113.839 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.0 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.5 pp -55.83 -25.3 41.11 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.392 0.516 . . . . 16.66 112.392 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.0 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -86.17 172.66 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.703 0.763 . . . . 25.0 110.398 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.7 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 23.8 t70 -161.9 25.73 0.12 Allowed 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.294 -1.321 . . . . 50.0 109.213 -179.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -170.29 39.22 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 106.574 -1.639 . . . . 50.0 106.574 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.741 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 29.9 t80 -66.0 147.15 53.8 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.813 -1.085 . . . . 16.66 111.528 -178.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.741 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 23.8 t -136.15 159.53 38.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 113.594 -1.639 . . . . 50.0 109.445 178.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.153 ' SG ' ' CB ' ' A' ' 56' ' ' CYS . 2.3 p -80.45 161.26 65.26 Favored Pre-proline 0 N--CA 1.417 -2.076 0 N-CA-C 109.344 -0.613 . . . . 16.66 109.344 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 15.9 Cg_endo -82.21 -29.74 1.46 Allowed 'Trans proline' 0 C--N 1.277 -3.19 0 C-N-CA 121.956 1.77 . . . . 16.66 112.396 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -83.05 -18.34 40.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.003 -1.11 . . . . 50.0 108.003 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 1.153 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 91.9 m -60.03 -45.25 93.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.185 -1.371 . . . . 16.66 111.156 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -55.99 -35.55 66.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.688 -0.687 . . . . 50.0 111.073 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.3 p -67.64 -23.85 65.39 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.724 -0.39 . . . . 50.0 109.999 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.492 ' O ' ' O ' ' A' ' 60' ' ' GLU . 96.9 m -93.9 -74.14 0.55 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.911 -0.586 . . . . 50.0 111.281 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.492 ' O ' ' O ' ' A' ' 59' ' ' THR . 98.3 mt-10 56.7 141.58 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.272 -0.422 . . . . 50.0 110.858 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -55.58 -36.63 67.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 50.0 110.43 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.546 0 CA-C-O 118.1 -0.953 . . . . 50.0 110.686 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.7 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.617 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 3.4 ttm-85 -86.61 32.45 0.65 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.704 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.625 HG21 ' O ' ' A' ' 45' ' ' ALA . 5.7 m -62.84 145.73 54.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' M3L . . . . . 0.877 HM12 ' CD2' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--O 1.236 0.347 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.443 ' OE1' ' OE2' ' A' ' 46' ' ' GLU . 78.1 mm-40 -71.62 149.72 45.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.375 -179.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.0 t -138.62 161.47 37.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.159 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.13 142.85 58.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.791 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.607 ' O ' ' N ' ' B' ' 10' ' ' SER . 22.2 mtp-105 -60.13 -33.93 72.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.417 ' H ' ' HG2' ' B' ' 9' ' ' LYS . 33.1 mmtp -36.39 86.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.259 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.607 ' N ' ' O ' ' B' ' 8' ' ' ARG . 21.6 m -154.9 130.76 10.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.232 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 7.3 t -145.91 154.88 42.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.726 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.43 172.75 45.52 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.27 -170.57 54.92 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -105.49 148.18 27.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.739 0.304 . . . . 0.0 110.398 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.538 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . 0.408 'ZN ' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.422 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.8 137.67 54.72 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.76 2.307 . . . . 0.0 112.067 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.3 mt -112.49 134.14 54.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.427 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.32 -178.88 37.95 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.019 -0.832 . . . . 50.0 111.019 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.432 ' O ' ' CG ' ' A' ' 6' ' ' ASP . 85.4 p -65.53 -22.74 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 50.0 110.564 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 5' ' ' SER . 6.7 p-10 44.15 91.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 50.0 110.559 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -81.69 163.28 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 50.0 110.353 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -93.89 176.2 6.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.159 0.504 . . . . 50.0 111.142 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.5 mt -84.89 160.81 20.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.462 -0.79 . . . . 50.0 111.063 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 16.3 m-85 -106.81 -94.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.712 -0.676 . . . . 25.0 111.622 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.955 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 14.7 t -35.61 135.04 0.29 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.207 -0.906 . . . . 16.66 112.299 -178.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.727 HG23 ' CD1' ' A' ' 33' ' ' TYR . 19.1 pt -52.01 -7.34 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 113.879 -1.509 . . . . 50.0 107.984 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -86.2 -22.39 26.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 113.403 -1.726 . . . . 16.66 110.928 -179.497 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.583 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 95.3 mttt 82.53 78.87 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.943 0.349 . . . . 25.0 111.943 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.578 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 60.7 p -149.31 147.89 24.82 Favored Pre-proline 0 N--CA 1.468 0.453 0 CA-C-O 120.686 0.279 . . . . 50.0 111.285 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.7 -179.57 3.87 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.935 2.423 . . . . 50.0 111.68 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.678 ' CZ ' ' CM3' ' B' ' 4' ' ' M3L . 0.9 OUTLIER -83.49 130.32 35.01 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 121.516 0.674 . . . . 50.0 111.027 -179.148 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.727 ' C ' ' H ' ' A' ' 20' ' ' SER . 86.4 m-20 -140.75 119.83 12.81 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 114.648 -1.16 . . . . 50.0 109.38 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.55 8.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.34 0.59 . . . . 50.0 109.562 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.727 ' H ' ' C ' ' A' ' 18' ' ' ASP . 32.1 m -100.73 -21.43 15.2 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.694 -1.224 . . . . 50.0 107.694 178.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.749 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 2.8 tppt? -100.21 129.56 46.24 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 113.527 -1.67 . . . . 50.0 106.713 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 24.3 p90 -104.52 148.54 26.37 Favored 'General case' 0 CA--C 1.493 -1.214 0 C-N-CA 119.618 -0.833 . . . . 16.66 109.295 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.919 ' CD2' HM12 ' B' ' 4' ' ' M3L . 94.7 m-85 -124.6 169.48 11.88 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 117.538 2.421 . . . . 50.0 117.538 -173.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.005 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -145.81 131.28 12.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.196 0 CA-C-N 109.13 -3.668 . . . . 16.66 106.286 176.376 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.503 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -97.87 126.23 8.8 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 120.47 -0.871 . . . . 16.66 114.269 -177.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.308 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER -52.08 113.32 0.98 Allowed 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.588 -1.264 . . . . 16.66 107.588 176.384 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.497 ' CG ' ' O ' ' A' ' 51' ' ' TYR . 83.1 m-20 -64.32 -40.6 96.23 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-O 121.678 0.752 . . . . 25.0 109.119 -179.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 -93.83 -37.25 11.85 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.315 -1.311 . . . . 50.0 110.761 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.308 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -78.41 -28.66 46.86 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 119.857 -0.737 . . . . 16.66 110.069 -179.722 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.755 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 78.03 16.79 1.33 Allowed 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.321 1.23 . . . . 16.66 114.321 177.875 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.427 ' H ' ' CB ' ' A' ' 26' ' ' CYS . 47.0 p30 -136.33 173.68 11.45 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 119.714 1.143 . . . . 50.0 113.451 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.783 ' CG ' HM13 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -113.21 150.9 31.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 117.563 2.431 . . . . 16.66 117.563 -173.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.727 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -141.06 163.33 33.27 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 113.478 -1.692 . . . . 50.0 109.261 172.613 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.749 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -73.91 139.5 45.0 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.202 -2.147 . . . . 16.66 105.202 176.375 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.531 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -41.65 -46.16 4.68 Favored Glycine 0 C--N 1.308 -0.987 0 C-N-CA 119.267 -1.445 . . . . 16.66 111.683 -177.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.481 ' C ' ' H ' ' A' ' 39' ' ' GLY . 1.7 ptm180 -80.31 -18.67 48.53 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.358 -0.537 . . . . 50.0 109.955 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.6 t -51.02 -28.5 10.21 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 119.272 -0.971 . . . . 16.66 108.719 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.5 m -117.79 12.84 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 114.677 -1.147 . . . . 16.66 110.459 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 71.35 46.64 40.38 Favored Glycine 0 N--CA 1.46 0.295 0 CA-C-N 115.679 -0.691 . . . . 16.66 111.957 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.531 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -114.99 168.33 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.121 0.486 . . . . 16.66 111.354 -179.459 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.521 ' N ' HG23 ' A' ' 40' ' ' ILE . 46.7 mt -60.94 164.45 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.573 -0.74 . . . . 50.0 110.042 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -78.54 -55.08 5.49 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.517 -0.765 . . . . 25.0 110.207 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.535 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 74.3 m -70.16 -14.72 62.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.221 -0.899 . . . . 50.0 109.377 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.746 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -41.58 -20.6 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.34 -0.846 . . . . 50.0 110.869 -178.714 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.788 ' O ' HG21 ' B' ' 3' ' ' THR . . . -75.26 -41.44 57.31 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 120.579 -0.448 . . . . 25.0 110.694 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 43' ' ' SER . 81.2 tt0 -87.66 -47.4 8.7 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.907 1.077 . . . . 50.0 113.907 -178.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.011 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -55.46 -26.13 40.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.515 0.561 . . . . 16.66 112.515 -177.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.011 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -86.14 172.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.527 0.679 . . . . 25.0 109.788 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.709 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 47.0 t0 -154.02 0.46 0.22 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.653 -1.158 . . . . 50.0 109.707 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -147.98 44.8 1.08 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.197 -1.408 . . . . 50.0 107.197 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.644 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 21.6 t80 -66.49 142.57 57.5 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.951 -1.022 . . . . 16.66 111.175 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.644 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 14.8 t -133.02 158.85 43.37 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 113.606 -1.634 . . . . 50.0 108.159 177.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.003 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 6.7 p -80.25 161.0 66.73 Favored Pre-proline 0 N--CA 1.414 -2.227 0 CA-C-O 121.595 0.712 . . . . 16.66 109.997 -178.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.588 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 25.0 Cg_endo -79.14 -25.4 5.96 Favored 'Trans proline' 0 C--N 1.276 -3.244 0 C-N-CA 122.108 1.872 . . . . 16.66 110.657 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -74.57 -30.45 61.72 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.029 -0.987 . . . . 50.0 108.504 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -86.23 -47.01 9.82 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.496 -0.775 . . . . 16.66 111.245 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 58' ' ' SER . 10.5 pt20 -49.87 -41.59 45.8 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.734 -0.386 . . . . 50.0 110.63 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.441 ' N ' ' CG ' ' A' ' 57' ' ' GLN . 19.7 t -60.93 -36.89 80.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.225 -0.443 . . . . 50.0 110.155 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.0 m -62.8 -41.69 99.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 50.0 111.069 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -96.21 150.74 20.2 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.817 -0.353 . . . . 50.0 110.962 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -56.57 -37.75 71.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 50.0 110.842 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.567 0 CA-C-O 117.993 -1.004 . . . . 50.0 110.555 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.709 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.729 HH21 ' N ' ' A' ' 26' ' ' CYS . 21.9 mtm105 -88.96 25.37 1.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.965 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.788 HG21 ' O ' ' A' ' 45' ' ' ALA . 18.0 m -54.1 132.71 43.34 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.581 -0.447 . . . . 0.0 109.831 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' M3L . . . . . 0.919 HM12 ' CD2' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.324 -0.52 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -95.42 142.73 27.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.098 0.475 . . . . 0.0 112.03 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.619 HG22 ' OH ' ' A' ' 17' ' ' TYR . 39.9 p -121.31 22.89 10.67 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.516 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.35 179.24 0.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.497 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 42.51 39.43 1.55 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.503 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -58.94 -34.49 71.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.664 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 32.3 t -115.33 145.03 42.89 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 48.1 m -118.21 134.71 54.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.418 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.51 -176.15 45.88 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 58.68 -87.26 0.02 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -82.19 145.09 30.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.493 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.574 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . 0.442 'ZN ' ' HG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.458 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.492 2.388 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 41.7 Cg_exo -54.35 -20.32 19.75 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.794 2.329 . . . . 0.0 112.043 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.716 HD13 ' N ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -88.88 128.47 35.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.777 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.716 ' N ' HD13 ' A' ' 3' ' ' LEU . . . -155.28 -163.7 12.36 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.812 -0.915 . . . . 50.0 110.812 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -57.92 -27.53 63.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 50.0 110.342 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.407 ' OD2' ' C ' ' A' ' 6' ' ' ASP . 52.4 p30 -75.51 -177.71 3.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 50.0 110.461 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.9 p -112.99 162.22 16.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.336 -0.393 . . . . 50.0 110.712 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -90.82 154.1 19.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.86 -0.609 . . . . 50.0 110.94 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.686 HD22 ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -62.36 -174.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.644 -0.707 . . . . 50.0 110.746 179.678 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.686 ' N ' HD22 ' A' ' 9' ' ' LEU . 2.8 m-85 -57.04 -117.53 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.682 0.753 . . . . 25.0 112.461 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 1.02 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 2.3 t -34.52 124.74 0.52 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.429 -1.26 . . . . 16.66 113.568 -178.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.622 HG23 ' CD1' ' A' ' 33' ' ' TYR . 18.2 pt -55.8 -7.12 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 112.56 -2.109 . . . . 50.0 109.343 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.015 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -78.56 -17.33 56.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.676 -1.147 . . . . 16.66 110.679 -179.648 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.581 ' CG ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 90.11 36.84 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.531 0.52 . . . . 25.0 112.339 179.03 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.22 126.75 24.28 Favored Pre-proline 0 CA--C 1.542 0.651 0 O-C-N 122.216 -0.302 . . . . 50.0 110.852 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.91 -162.35 0.06 OUTLIER 'Trans proline' 0 N--CA 1.5 1.897 0 C-N-CA 122.531 2.154 . . . . 50.0 112.252 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.783 ' CE1' HM33 ' B' ' 4' ' ' M3L . 0.5 OUTLIER -76.31 131.78 39.41 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.735 0.779 . . . . 50.0 111.622 -178.293 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.767 ' C ' ' H ' ' A' ' 20' ' ' SER . 75.7 m-20 -140.83 112.84 7.75 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.179 -1.373 . . . . 50.0 107.775 177.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -54.78 7.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.176 0.512 . . . . 50.0 110.15 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.767 ' H ' ' C ' ' A' ' 18' ' ' ASP . 3.6 t -106.9 -3.99 19.65 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.965 -1.124 . . . . 50.0 107.965 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.849 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -120.24 134.01 55.35 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 114.095 -1.412 . . . . 50.0 108.503 -179.886 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.462 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 35.6 p90 -110.8 137.07 48.91 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-O 121.77 0.795 . . . . 16.66 110.606 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 1.0 ' CG ' HM12 ' B' ' 4' ' ' M3L . 26.4 m-85 -113.88 174.48 5.91 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 116.395 1.998 . . . . 50.0 116.395 -176.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.046 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -144.56 135.14 20.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-N 109.468 -3.514 . . . . 16.66 107.058 177.712 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -95.79 126.52 8.81 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 120.755 -0.736 . . . . 16.66 113.775 -178.069 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.336 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 7.4 t -54.96 121.46 8.72 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.394 0.678 . . . . 16.66 109.564 177.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.693 ' HB2' HG22 ' A' ' 52' ' ' VAL . 57.6 t0 -54.58 -34.96 62.78 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.604 -0.438 . . . . 25.0 110.845 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.4 ' NE ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER -109.16 -37.22 5.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.269 -0.423 . . . . 50.0 110.75 -179.721 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.336 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.16 -4.7 45.94 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.369 0.604 . . . . 16.66 110.203 -179.041 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 29' ' ' CYS . 3.8 pp0? 34.85 34.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.991 -1.004 . . . . 16.66 112.373 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.425 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 19.7 p30 -133.72 170.74 15.12 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 120.598 -0.441 . . . . 50.0 110.541 178.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.801 ' CB ' HM13 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -123.02 153.7 39.47 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 116.512 2.041 . . . . 16.66 116.512 -174.014 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.753 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -139.87 157.46 45.68 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 113.61 -1.632 . . . . 50.0 109.236 173.894 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 1.006 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -69.5 143.9 53.33 Favored 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 105.651 -1.981 . . . . 16.66 105.651 176.124 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.544 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.64 -55.71 4.51 Favored Glycine 0 C--N 1.309 -0.937 0 C-N-CA 119.553 -1.308 . . . . 16.66 111.78 -177.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.509 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -73.82 -19.25 60.8 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.741 -0.384 . . . . 50.0 110.02 179.565 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 1.02 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.7 t -50.26 -28.87 8.43 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.648 -0.871 . . . . 16.66 108.648 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.6 m -119.26 11.74 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.851 -1.068 . . . . 16.66 110.145 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 73.33 46.5 26.3 Favored Glycine 0 CA--C 1.518 0.237 0 CA-C-N 115.495 -0.775 . . . . 16.66 112.307 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.544 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -113.93 168.08 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.061 0.458 . . . . 16.66 111.025 -179.687 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.518 ' N ' HG23 ' A' ' 40' ' ' ILE . 33.7 mt -61.48 165.74 4.59 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.643 -0.708 . . . . 50.0 110.338 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -79.67 -55.93 4.66 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.459 -0.791 . . . . 25.0 110.966 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.629 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 74.7 m -67.35 -16.02 64.02 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.481 -0.781 . . . . 50.0 109.027 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.743 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -42.11 -20.47 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 115.435 -0.802 . . . . 50.0 110.377 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.811 ' O ' HG21 ' B' ' 3' ' ' THR . . . -72.09 -48.91 40.56 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.914 -0.585 . . . . 25.0 110.681 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 43' ' ' SER . 49.9 mt-10 -87.96 -43.06 12.04 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 114.441 1.274 . . . . 50.0 114.441 -178.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.048 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -55.43 -26.02 39.57 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.294 0.479 . . . . 16.66 112.294 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.048 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.2 pp -85.76 172.3 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.56 0.695 . . . . 25.0 109.95 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.558 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 49.7 t0 -159.23 10.59 0.13 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.695 -1.139 . . . . 50.0 109.41 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.405 ' N ' ' HB2' ' B' ' 1' ' ' ALA . 20.7 pt-20 -158.29 41.56 0.27 Allowed 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 106.337 -1.727 . . . . 50.0 106.337 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.692 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 27.8 t80 -66.19 146.89 54.11 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.556 -1.202 . . . . 16.66 111.383 -178.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.693 HG22 ' HB2' ' A' ' 27' ' ' ASP . 21.7 t -135.61 157.3 39.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.149 0 CA-C-N 113.549 -1.659 . . . . 50.0 109.025 178.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.311 ' CB ' ' HG ' ' A' ' 26' ' ' CYS . 1.8 p -79.06 161.96 66.33 Favored Pre-proline 0 N--CA 1.416 -2.145 0 N-CA-C 108.79 -0.818 . . . . 16.66 108.79 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.479 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 21.0 Cg_endo -82.87 -29.32 1.33 Allowed 'Trans proline' 0 C--N 1.276 -3.246 0 C-N-CA 121.721 1.614 . . . . 16.66 111.377 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -73.79 -30.36 62.7 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.537 -0.912 . . . . 50.0 108.537 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.963 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 10.6 m -63.08 -37.28 86.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.949 -1.023 . . . . 16.66 109.665 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -57.48 -27.12 62.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.556 -0.747 . . . . 50.0 111.006 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.6 m -45.8 -32.59 2.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.295 -0.411 . . . . 50.0 110.497 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.4 ' CG2' ' NE ' ' A' ' 28' ' ' ARG . 3.3 t -132.96 -7.64 3.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.424 -0.353 . . . . 50.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -105.05 144.35 31.98 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.885 0.374 . . . . 50.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 53.5 p30 -98.52 166.61 11.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.499 . . . . 50.0 110.386 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.033 -0.984 . . . . 50.0 110.644 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.558 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.6 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 37.6 mtm180 33.99 41.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.507 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.811 HG21 ' O ' ' A' ' 45' ' ' ALA . 18.9 m -70.23 136.53 50.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' M3L . . . . . 1.0 HM12 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 121.103 0.478 . . . . 0.0 110.062 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.502 ' C ' ' H ' ' B' ' 7' ' ' ALA . 8.7 pt20 -146.95 167.55 23.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.981 0.42 . . . . 0.0 111.149 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 15.1 t -72.16 22.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.068 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' B' ' 5' ' ' GLN . . . -133.29 81.47 1.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.401 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -127.54 131.67 50.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.759 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -131.02 162.74 29.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.072 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 27.3 t -63.11 136.13 57.6 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.566 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 59.5 p -127.53 166.18 18.48 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.622 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.5 90.84 0.18 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.93 173.45 46.61 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -59.7 -38.35 81.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.702 0.287 . . . . 0.0 110.561 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.618 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.364 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -55.18 133.74 59.82 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.552 2.168 . . . . 0.0 111.723 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.8 tp -118.44 140.6 49.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.862 0.363 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.05 166.13 25.88 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.057 -0.817 . . . . 50.0 111.057 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 t -137.1 27.72 2.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.799 0.333 . . . . 50.0 110.607 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.456 ' C ' ' OD1' ' A' ' 6' ' ' ASP . 41.7 p30 -139.01 -173.48 3.59 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.389 -0.369 . . . . 50.0 110.847 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.6 p -118.78 170.24 9.16 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.049 -0.523 . . . . 50.0 110.647 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -135.12 154.02 51.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.355 0.597 . . . . 50.0 111.685 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.839 HD22 ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -63.15 -172.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.089 -0.959 . . . . 50.0 110.469 179.206 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.839 ' N ' HD22 ' A' ' 9' ' ' LEU . 1.5 m-85 -60.72 -122.63 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 -177.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 1.072 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 1.2 t -33.66 124.39 0.44 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.201 -1.363 . . . . 16.66 112.975 -178.13 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.711 HG23 ' CD1' ' A' ' 33' ' ' TYR . 20.2 pt -52.77 -6.99 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-N 112.385 -2.189 . . . . 50.0 109.153 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.042 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -83.12 -3.58 57.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.431 -1.259 . . . . 16.66 109.939 179.587 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 67.57 58.14 0.53 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.756 -0.657 . . . . 25.0 112.412 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 m -141.0 121.28 8.66 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 120.866 -0.334 . . . . 50.0 111.292 178.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -50.29 -174.43 0.01 OUTLIER 'Trans proline' 0 N--CA 1.502 1.978 0 C-N-CA 123.359 2.706 . . . . 50.0 113.366 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.695 ' CZ ' HM13 ' B' ' 4' ' ' M3L . 0.9 OUTLIER -78.9 131.27 36.34 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 121.48 0.657 . . . . 50.0 111.238 -179.296 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.727 ' C ' ' H ' ' A' ' 20' ' ' SER . 94.6 m-20 -141.56 117.02 10.2 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.618 -1.174 . . . . 50.0 108.457 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.567 ' OE2' ' O ' ' B' ' 9' ' ' LYS . 96.4 mt-10 -53.52 4.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.17 0.509 . . . . 50.0 110.233 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.727 ' H ' ' C ' ' A' ' 18' ' ' ASP . 5.8 m -98.18 -12.79 21.34 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 107.972 -1.121 . . . . 50.0 107.972 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.853 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -111.99 134.67 53.4 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 113.852 -1.522 . . . . 50.0 108.69 179.629 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.46 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 49.0 p90 -112.18 128.87 56.36 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 122.067 0.936 . . . . 16.66 110.759 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.742 ' HB2' ' HB2' ' B' ' 4' ' ' M3L . 40.3 m-85 -104.26 174.76 5.73 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 116.3 1.963 . . . . 50.0 116.3 -175.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.986 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -149.51 128.49 3.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 109.482 -3.508 . . . . 16.66 106.571 177.765 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -88.49 122.29 6.3 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 114.75 0.66 . . . . 16.66 114.75 -177.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.458 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -49.48 113.38 0.81 Allowed 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.434 -1.691 . . . . 16.66 106.434 175.454 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.586 ' H ' ' HA ' ' A' ' 52' ' ' VAL . 64.2 t0 -62.83 -37.09 85.4 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 121.904 0.859 . . . . 25.0 108.997 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.57 ' NE ' ' O ' ' A' ' 59' ' ' THR . 32.6 ttt-85 -96.47 -40.94 8.83 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.09 -1.413 . . . . 50.0 110.569 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.313 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.1 -24.31 51.79 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 119.996 -0.682 . . . . 16.66 110.554 -178.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.755 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 68.29 25.03 7.23 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.04 0.755 . . . . 16.66 113.04 178.357 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.588 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 26.3 p30 -134.44 170.86 15.12 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 120.363 -0.535 . . . . 50.0 111.499 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 1.042 ' CD1' HM32 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -120.23 150.17 41.1 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 115.825 1.787 . . . . 16.66 115.825 -175.145 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.711 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -137.59 160.27 39.65 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.193 -1.367 . . . . 50.0 109.113 174.208 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.853 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -73.85 142.26 46.08 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 105.162 -2.162 . . . . 16.66 105.162 175.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.508 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.08 -53.66 4.68 Favored Glycine 0 C--N 1.306 -1.117 0 C-N-CA 119.648 -1.263 . . . . 16.66 112.117 -177.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.516 ' C ' ' H ' ' A' ' 39' ' ' GLY . 2.8 ptt180 -75.22 -20.4 59.27 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 120.575 -0.45 . . . . 50.0 110.054 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 1.072 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.8 t -51.43 -26.75 8.6 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 108.807 -0.812 . . . . 16.66 108.807 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.7 m -121.13 8.1 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.705 -1.134 . . . . 16.66 110.079 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.516 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 74.41 47.04 17.79 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-N 115.707 -0.679 . . . . 16.66 111.718 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.508 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -112.35 165.95 6.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.735 -0.386 . . . . 16.66 110.607 -179.335 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.871 ' N ' ' OE2' ' A' ' 44' ' ' GLU . 90.1 mt -59.17 164.57 3.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.298 0.57 . . . . 50.0 109.668 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -78.78 -55.5 5.12 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.317 -0.856 . . . . 25.0 110.618 -178.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.61 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 73.8 m -70.78 -15.79 62.7 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.095 -0.957 . . . . 50.0 109.653 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.871 ' OE2' ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -42.98 -19.13 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.601 -0.727 . . . . 50.0 111.124 -178.158 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.709 ' O ' HG21 ' B' ' 3' ' ' THR . . . -71.15 -50.42 33.59 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.637 -0.425 . . . . 25.0 111.605 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.19 -41.12 13.98 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.235 1.198 . . . . 50.0 114.235 -178.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.037 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -56.27 -23.99 39.94 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.12 0.415 . . . . 16.66 112.12 -178.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.037 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.1 pp -85.7 171.54 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.417 0.627 . . . . 25.0 109.793 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.582 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 37.8 t0 -160.75 20.29 0.13 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.905 -1.043 . . . . 50.0 109.44 -178.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.408 ' N ' ' HB2' ' B' ' 1' ' ' ALA . 0.8 OUTLIER -169.93 39.61 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 106.05 -1.833 . . . . 50.0 106.05 179.518 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.666 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 28.2 t80 -66.15 143.06 57.52 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.454 -1.248 . . . . 16.66 111.487 -178.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.666 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 14.4 t -131.02 159.22 43.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 113.709 -1.587 . . . . 50.0 108.643 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.458 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 5.7 p -81.75 159.4 66.39 Favored Pre-proline 0 N--CA 1.413 -2.287 0 CA-C-O 121.252 0.549 . . . . 16.66 109.578 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.479 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 26.1 Cg_endo -81.8 -25.71 3.43 Favored 'Trans proline' 0 C--N 1.277 -3.188 0 C-N-CA 121.686 1.59 . . . . 16.66 109.754 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -69.2 -36.45 77.29 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.395 -1.335 . . . . 50.0 107.395 176.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -81.52 -34.58 31.12 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.112 -0.949 . . . . 16.66 109.661 178.512 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -51.51 -36.27 44.01 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.943 -0.571 . . . . 50.0 110.812 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.5 p -59.15 -20.49 54.17 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.573 -0.451 . . . . 50.0 109.983 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.57 ' O ' ' NE ' ' A' ' 28' ' ' ARG . 1.8 m -143.17 46.9 1.53 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.254 -0.43 . . . . 50.0 111.761 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -41.16 -33.06 0.31 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.924 0.393 . . . . 50.0 110.304 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -81.72 119.99 24.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.024 -0.534 . . . . 50.0 110.685 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.957 -1.02 . . . . 50.0 110.628 -179.892 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.582 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.551 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 75.4 mtm-85 -96.27 58.53 1.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.709 HG21 ' O ' ' A' ' 45' ' ' ALA . 15.1 m -67.75 131.76 46.16 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' M3L . . . . . 1.042 HM32 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 C--N 1.326 -0.42 0 CA-C-O 121.169 0.509 . . . . 0.0 109.679 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.469 ' O ' ' OH ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -114.41 -173.92 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 -179.241 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.5 t -67.46 172.34 5.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.131 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -148.74 161.69 41.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.387 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -54.65 -41.4 70.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' LYS . . . . . 0.567 ' O ' ' OE2' ' A' ' 19' ' ' GLU . 28.6 mttt -149.69 -75.09 0.16 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.63 0.252 . . . . 0.0 110.968 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 33.0 t -154.67 149.84 27.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 0.0 111.14 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 28.5 p -114.56 12.93 17.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.07 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.34 -41.56 95.14 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.15 13.3 82.18 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -56.34 -34.79 66.93 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.693 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.543 179.867 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . 0.459 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.413 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.45 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.492 2.379 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 43.2 Cg_exo -53.85 156.0 13.2 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.762 2.308 . . . . 0.0 111.764 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.52 HD22 ' N ' ' A' ' 3' ' ' LEU . 3.5 mm? -56.25 110.02 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.894 0.378 . . . . 0.0 110.158 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.65 174.6 50.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.935 -0.866 . . . . 50.0 110.935 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 p -88.26 4.84 44.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 50.0 110.543 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -62.77 138.74 58.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 50.0 110.896 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.503 ' OG1' ' OH ' ' A' ' 10' ' ' TYR . 46.6 p -130.53 176.34 8.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.966 -0.561 . . . . 50.0 110.772 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.571 ' O ' ' CE1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -116.86 -176.11 2.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.747 -0.661 . . . . 50.0 110.641 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.9 mt -62.31 159.09 15.81 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.166 0.507 . . . . 50.0 111.787 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.571 ' CE1' ' O ' ' A' ' 8' ' ' LYS . 17.4 m-85 -122.54 -91.57 0.55 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.845 -0.616 . . . . 25.0 111.418 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.977 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 7.1 t -37.17 137.0 0.39 Allowed 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 122.02 0.914 . . . . 16.66 112.325 -178.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.846 HG23 ' CD2' ' A' ' 33' ' ' TYR . 23.6 pt -52.1 -6.53 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.754 -1.566 . . . . 50.0 107.997 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -87.18 -22.33 25.36 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 113.552 -1.658 . . . . 16.66 110.826 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 31.4 mttm 82.93 78.99 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.289 0.478 . . . . 25.0 112.289 179.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.77 158.08 40.07 Favored Pre-proline 0 N--CA 1.47 0.561 0 CA-C-O 120.799 0.333 . . . . 50.0 111.7 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.39 179.12 6.79 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 123.232 2.621 . . . . 50.0 111.991 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.658 ' CZ ' ' CM1' ' B' ' 4' ' ' M3L . 0.8 OUTLIER -82.52 131.6 35.21 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 121.466 0.65 . . . . 50.0 110.835 -179.551 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.719 ' C ' ' H ' ' A' ' 20' ' ' SER . 95.7 m-20 -140.38 118.91 12.25 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 114.844 -1.071 . . . . 50.0 109.055 178.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -58.88 8.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.366 0.603 . . . . 50.0 109.528 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.719 ' H ' ' C ' ' A' ' 18' ' ' ASP . 13.7 m -103.24 -10.41 18.77 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.77 -1.196 . . . . 50.0 107.77 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.827 ' NZ ' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -115.47 129.48 56.57 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 113.487 -1.688 . . . . 50.0 106.447 179.047 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -108.76 147.22 32.34 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 119.506 -0.878 . . . . 16.66 108.958 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.89 ' CG ' HM22 ' B' ' 4' ' ' M3L . 43.7 m-85 -122.9 173.08 8.01 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.916 2.191 . . . . 50.0 116.916 -174.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.068 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -145.1 128.52 11.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-N 108.899 -3.773 . . . . 16.66 106.907 176.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.408 ' H ' ' HA ' ' B' ' 3' ' ' THR . . . -91.29 121.19 6.22 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 121.242 -0.504 . . . . 16.66 114.277 -176.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.461 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.7 OUTLIER -47.67 107.85 0.14 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.344 -0.984 . . . . 16.66 108.344 176.615 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.63 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 88.1 m-20 -65.08 -33.63 76.49 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.381 0.61 . . . . 25.0 109.708 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.73 -24.37 15.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.174 -0.921 . . . . 50.0 110.394 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.288 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -96.27 -29.66 13.88 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 120.132 -0.627 . . . . 16.66 110.391 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.773 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER 82.02 16.12 0.45 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.173 1.175 . . . . 16.66 114.173 178.133 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.509 ' OD1' ' CE2' ' A' ' 33' ' ' TYR . 4.3 p30 -135.92 173.04 12.15 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 119.613 1.097 . . . . 50.0 112.606 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.871 ' CG ' HM23 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -114.77 152.11 32.64 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 117.31 2.337 . . . . 16.66 117.31 -174.332 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.846 ' CD2' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -141.01 161.42 37.89 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-N 114.169 -1.378 . . . . 50.0 109.005 172.865 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.827 ' CD2' ' NZ ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -76.66 133.19 39.65 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 106.845 -1.539 . . . . 16.66 106.845 177.46 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.801 ' HA3' HG22 ' A' ' 40' ' ' ILE . . . -41.14 -38.63 1.87 Allowed Glycine 0 C--N 1.304 -1.196 0 C-N-CA 119.724 -1.227 . . . . 16.66 110.373 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.613 ' H ' ' HD2' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -67.62 -34.28 76.66 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 108.798 -0.816 . . . . 50.0 108.798 177.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 1.7 t -69.09 -49.7 54.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.381 -1.282 . . . . 16.66 110.712 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -81.92 -22.39 9.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 114.25 -1.341 . . . . 16.66 109.85 -179.796 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 86.11 44.64 5.9 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 109.693 -1.363 . . . . 16.66 109.693 -178.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.801 HG22 ' HA3' ' A' ' 35' ' ' GLY . 2.0 tp -106.6 164.12 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-O 121.2 0.524 . . . . 16.66 111.588 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.769 ' O ' HG23 ' A' ' 40' ' ' ILE . 78.8 mt -63.52 166.78 6.27 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.126 -0.943 . . . . 50.0 108.937 177.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -77.74 -54.93 5.77 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 120.03 -0.668 . . . . 25.0 111.114 -178.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.457 ' C ' ' N ' ' A' ' 45' ' ' ALA . 50.7 m -70.17 -16.66 63.11 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.347 -0.842 . . . . 50.0 110.127 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.844 ' HA ' HD11 ' A' ' 47' ' ' LEU . 2.8 mt-10 -45.62 -18.3 0.04 OUTLIER 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.432 -0.507 . . . . 50.0 110.994 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.921 ' O ' HG21 ' B' ' 3' ' ' THR . . . -56.0 -58.65 7.01 Favored 'General case' 0 C--N 1.309 -1.175 0 C-N-CA 120.169 -0.612 . . . . 25.0 110.955 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.542 ' OE2' ' NE2' ' B' ' 5' ' ' GLN . 45.9 tp10 -89.48 -42.64 11.35 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.776 1.769 . . . . 50.0 115.776 -177.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.88 HD12 ' N ' ' A' ' 48' ' ' ILE . 3.3 pp -55.08 -28.45 52.5 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.661 1.356 . . . . 16.66 114.661 -175.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.88 ' N ' HD12 ' A' ' 47' ' ' LEU . 1.7 pp -85.3 172.52 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-O 121.726 0.774 . . . . 25.0 110.07 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.596 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 20.4 t70 -159.0 6.92 0.11 Allowed 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.391 -1.277 . . . . 50.0 109.373 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -147.97 34.28 0.83 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.157 -1.383 . . . . 50.0 107.387 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.68 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 5.7 t80 -66.0 147.08 53.91 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 115.226 -0.897 . . . . 16.66 109.787 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.68 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 21.6 t -134.79 155.92 39.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-N 114.569 -1.196 . . . . 50.0 109.576 178.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.461 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 5.9 p -76.9 157.56 81.51 Favored Pre-proline 0 N--CA 1.415 -2.216 0 CA-C-O 121.454 0.645 . . . . 16.66 110.046 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 27.4 Cg_endo -79.35 -27.78 4.08 Favored 'Trans proline' 0 C--N 1.276 -3.237 0 C-N-CA 121.921 1.747 . . . . 16.66 110.738 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -72.18 -32.58 66.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.107 -1.071 . . . . 50.0 108.107 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 1.138 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 3.5 m -65.07 -40.48 94.73 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 114.777 -1.101 . . . . 16.66 110.573 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -53.78 -26.53 24.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.737 -0.665 . . . . 50.0 110.937 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.7 p -64.28 -27.2 68.88 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.622 -0.431 . . . . 50.0 110.47 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.6 m -96.09 -68.95 0.77 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.3 -0.409 . . . . 50.0 111.468 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 58.47 -113.45 0.7 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.429 -0.351 . . . . 50.0 110.705 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.573 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 93.9 m-20 55.19 92.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 50.0 110.58 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 61' ' ' ASP . . . . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.988 -1.006 . . . . 50.0 110.6 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.596 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.63 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 85.0 mtm-85 -100.71 34.38 2.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.921 HG21 ' O ' ' A' ' 45' ' ' ALA . 24.5 m -62.95 138.41 58.55 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' M3L . . . . . 0.89 HM22 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.535 0.683 . . . . 0.0 110.367 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.542 ' NE2' ' OE2' ' A' ' 46' ' ' GLU . 4.4 pm0 -60.22 -139.02 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.118 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -128.3 158.21 38.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.299 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' B' ' 8' ' ' ARG . . . -157.06 162.04 39.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.999 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' B' ' 7' ' ' ALA . 13.8 tpt180 58.92 117.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -95.0 121.83 37.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.737 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.57 ' O ' ' N ' ' B' ' 12' ' ' GLY . 83.2 p -69.32 -26.89 64.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.631 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 84.9 m 44.28 -86.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' B' ' 10' ' ' SER . . . 85.32 -162.65 36.75 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.15 122.76 28.81 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' B' ' 15' ' ' ALA . 18.3 ptmt -62.86 -36.57 83.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.802 0.334 . . . . 0.0 110.831 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' B' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.533 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . 0.455 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.33 141.52 82.01 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.771 2.314 . . . . 0.0 112.156 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -101.51 143.65 31.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.791 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 5' ' ' SER . . . -151.55 -178.13 26.0 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.851 -0.9 . . . . 50.0 110.851 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.463 ' O ' ' O ' ' A' ' 4' ' ' GLY . 3.8 t 54.67 160.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.881 0.372 . . . . 50.0 110.507 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 55.35 80.47 0.13 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.377 -0.374 . . . . 50.0 110.328 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -81.07 169.18 17.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.455 0.645 . . . . 50.0 111.662 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' HG3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -74.39 -175.26 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.86 -1.064 . . . . 50.0 112.325 -179.396 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.985 ' H ' HD12 ' A' ' 9' ' ' LEU . 3.6 mp -62.06 -174.71 0.06 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 114.64 -1.164 . . . . 50.0 111.802 -178.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.55 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 14.8 m-85 -62.96 -111.04 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.825 0.822 . . . . 25.0 111.686 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 1.141 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -34.37 128.85 0.41 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.323 -1.308 . . . . 16.66 112.498 -178.665 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.793 HG23 ' CD2' ' A' ' 33' ' ' TYR . 27.6 pt -50.14 -6.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 113.121 -1.854 . . . . 50.0 109.201 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.035 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -87.8 -3.72 58.93 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.668 -1.151 . . . . 16.66 110.79 -179.853 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 43.1 mttp 69.41 79.22 0.2 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -160.67 143.42 9.67 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 120.79 -0.364 . . . . 50.0 111.222 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.49 -170.05 0.54 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.648 2.232 . . . . 50.0 111.051 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.765 ' CZ ' HM33 ' B' ' 4' ' ' M3L . 0.8 OUTLIER -82.79 129.6 35.01 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.598 0.713 . . . . 50.0 111.195 -179.175 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.742 ' C ' ' H ' ' A' ' 20' ' ' SER . 80.9 m-20 -140.47 115.14 9.51 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.485 -1.234 . . . . 50.0 108.939 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -56.6 6.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.311 0.577 . . . . 50.0 109.683 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.742 ' H ' ' C ' ' A' ' 18' ' ' ASP . 55.9 m -100.63 -5.64 26.37 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.517 -1.29 . . . . 50.0 107.517 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.736 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 1.4 tptp -123.99 130.49 52.66 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 113.13 -1.85 . . . . 50.0 106.858 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 46.6 p90 -112.12 132.05 55.09 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 122.051 0.929 . . . . 16.66 111.05 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.649 ' CG ' ' CM1' ' B' ' 4' ' ' M3L . 26.1 m-85 -108.05 174.87 5.69 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 116.76 2.134 . . . . 50.0 116.76 -175.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.02 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -148.02 137.07 15.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 CA-C-N 108.894 -3.775 . . . . 16.66 105.972 177.634 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.09 124.27 8.19 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 120.252 -0.975 . . . . 16.66 114.889 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.266 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -47.86 122.18 4.78 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.65 0.78 . . . . 16.66 109.433 176.753 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.546 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 76.1 m-20 -58.17 -38.55 76.88 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.007 -0.677 . . . . 25.0 111.078 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.577 ' H ' ' HD3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -112.51 -30.08 7.26 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 120.977 -0.289 . . . . 50.0 110.611 179.523 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.266 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -71.14 -21.85 62.14 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 108.38 -0.97 . . . . 16.66 108.38 179.002 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.704 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 65.26 16.12 10.37 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.671 1.36 . . . . 16.66 114.671 177.228 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -135.01 173.28 11.9 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 114.299 1.222 . . . . 50.0 114.299 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.886 ' CD1' HM22 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -108.11 145.88 33.45 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 117.621 2.452 . . . . 16.66 117.621 -173.47 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.793 ' CD2' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -138.55 155.23 48.56 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.129 -1.851 . . . . 50.0 108.599 172.676 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.898 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 1.4 m80 -69.46 141.44 54.0 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 105.891 -1.892 . . . . 16.66 105.891 177.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.483 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.91 -45.48 5.92 Favored Glycine 0 C--N 1.308 -0.992 0 C-N-CA 119.61 -1.281 . . . . 16.66 111.417 -178.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.456 ' HG3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -81.25 -19.92 42.08 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.317 -0.623 . . . . 50.0 109.317 178.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 1.141 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER -51.84 -25.07 7.05 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.702 -0.851 . . . . 16.66 108.702 179.51 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.27 11.07 4.36 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 CA-C-N 115.206 -0.907 . . . . 16.66 110.829 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.36 47.06 30.65 Favored Glycine 0 N--CA 1.465 0.574 0 C-N-CA 121.182 -0.533 . . . . 16.66 112.768 178.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.483 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -111.08 165.8 6.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 121.159 -0.216 . . . . 16.66 110.682 -179.471 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 9.1 mp -60.34 165.45 3.58 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.407 0.623 . . . . 50.0 110.046 178.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -78.58 -56.99 4.0 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.085 -0.961 . . . . 25.0 110.861 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.547 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 15.7 t -70.47 -16.0 62.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.58 -0.736 . . . . 50.0 109.212 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.757 ' HA ' HD11 ' A' ' 47' ' ' LEU . 2.7 tt0 -43.37 -18.76 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.3 -0.864 . . . . 50.0 111.408 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.83 ' O ' HG21 ' B' ' 3' ' ' THR . . . -68.51 -50.86 48.94 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 120.417 -0.513 . . . . 25.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -86.61 -43.07 12.94 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.154 1.168 . . . . 50.0 114.154 -178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.104 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.1 pp -55.28 -25.1 31.82 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.204 0.446 . . . . 16.66 112.204 -177.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 1.104 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -84.92 172.13 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 120.247 -0.581 . . . . 25.0 109.438 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.675 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 26.6 t70 -156.72 12.72 0.26 Allowed 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.101 -0.954 . . . . 50.0 109.453 -178.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -164.81 43.95 0.09 Allowed 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 106.151 -1.796 . . . . 50.0 106.151 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.811 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 8.6 t80 -65.62 148.29 51.99 Favored 'General case' 0 CA--C 1.498 -1.056 0 CA-C-N 114.818 -1.083 . . . . 16.66 110.55 -178.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.811 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 38.2 t -131.2 158.68 43.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-N 114.103 -1.408 . . . . 50.0 110.648 179.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.135 ' SG ' ' CB ' ' A' ' 56' ' ' CYS . 3.0 p -78.67 161.02 70.87 Favored Pre-proline 0 N--CA 1.415 -2.183 0 N-CA-C 109.15 -0.685 . . . . 16.66 109.15 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.536 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 38.4 Cg_endo -77.11 -37.21 1.13 Allowed 'Trans proline' 0 C--N 1.273 -3.403 0 C-N-CA 121.427 1.418 . . . . 16.66 111.508 -178.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -69.07 -29.77 67.96 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.007 -1.109 . . . . 50.0 108.007 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 62.3 m -60.04 -48.77 80.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.188 -1.369 . . . . 16.66 111.186 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' ASP . 45.8 tt0 -54.01 -38.02 64.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.522 -0.763 . . . . 50.0 111.448 -178.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.485 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 48.3 m -56.38 -33.06 65.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 50.0 110.695 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.4 m -76.1 -64.07 1.18 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.143 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -66.66 -36.41 82.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.465 -0.334 . . . . 50.0 111.041 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.485 ' OD1' ' O ' ' A' ' 58' ' ' SER . 93.4 m-20 55.44 45.92 24.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 50.0 110.496 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.103 -0.951 . . . . 50.0 110.458 179.879 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.675 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.546 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 35.8 mtm180 -78.33 52.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.31 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.83 HG21 ' O ' ' A' ' 45' ' ' ALA . 18.3 m -71.84 130.94 42.27 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.151 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' M3L . . . . . 0.886 HM22 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.471 ' HG3' HG22 ' B' ' 3' ' ' THR . 22.4 mt-30 -85.13 23.99 1.17 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.315 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.494 ' O ' ' O ' ' B' ' 7' ' ' ALA . 1.5 p 42.66 -161.16 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.699 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' B' ' 6' ' ' THR . . . 34.32 98.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' B' ' 7' ' ' ALA . 89.7 mtt180 55.37 160.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.986 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.67 158.84 17.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.541 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 31.1 t -61.65 157.51 17.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.468 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 22.2 m -73.59 139.48 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.786 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.69 131.1 2.13 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.19 -12.6 58.34 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 22.3 mttt 65.52 42.21 3.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.792 0.33 . . . . 0.0 110.347 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.613 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . 0.413 'ZN ' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . 0.437 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -53.68 147.0 41.76 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.704 2.269 . . . . 0.0 112.083 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.477 ' CD2' ' H ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -84.32 133.63 34.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.258 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.52 -177.3 51.19 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.96 -0.856 . . . . 50.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 7' ' ' THR . 91.0 p -138.11 159.8 41.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.753 0.311 . . . . 50.0 110.48 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -56.08 -36.89 68.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 50.0 110.68 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.401 ' O ' ' OG ' ' A' ' 5' ' ' SER . 52.5 m -122.19 139.84 53.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.253 -0.43 . . . . 50.0 110.7 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.607 ' C ' ' HG ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -134.72 -176.43 4.23 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.144 -0.48 . . . . 50.0 111.154 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.607 ' HG ' ' C ' ' A' ' 8' ' ' LYS . 9.2 mt -144.42 167.97 21.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.923 -0.58 . . . . 50.0 111.223 -178.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 19.8 m-85 -120.64 -94.41 0.5 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.954 -0.566 . . . . 25.0 111.371 -178.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.949 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 12.4 t -35.94 137.66 0.22 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.92 0.867 . . . . 16.66 112.396 -178.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.671 HG23 ' CD1' ' A' ' 33' ' ' TYR . 14.2 pt -51.96 -7.17 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 113.834 -1.53 . . . . 50.0 107.609 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -87.43 -20.1 27.11 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 113.187 -1.824 . . . . 16.66 110.818 -179.504 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 61.9 mttp 76.97 79.52 0.08 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.592 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 39.0 p -148.26 148.73 30.03 Favored Pre-proline 0 N--CA 1.468 0.454 0 CA-C-O 120.755 0.312 . . . . 50.0 111.459 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.27 170.08 19.16 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 123.049 2.499 . . . . 50.0 111.773 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.726 ' CZ ' HM33 ' B' ' 4' ' ' M3L . 1.0 OUTLIER -75.01 130.52 39.49 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 121.562 0.696 . . . . 50.0 111.185 -179.097 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.648 ' C ' ' H ' ' A' ' 20' ' ' SER . 99.5 m-20 -140.96 129.17 22.21 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.622 -1.172 . . . . 50.0 109.116 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 19' ' ' GLU . 23.1 mp0 -66.07 8.75 0.18 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.934 -0.765 . . . . 50.0 108.934 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.648 ' H ' ' C ' ' A' ' 18' ' ' ASP . 38.5 m -100.7 -20.07 15.77 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.45 -1.315 . . . . 50.0 107.45 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.79 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -105.51 129.77 53.72 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 106.367 -1.716 . . . . 50.0 106.367 178.305 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.466 ' HD2' ' HB2' ' A' ' 45' ' ' ALA . 51.3 p90 -106.25 149.59 26.74 Favored 'General case' 0 CA--C 1.496 -1.105 0 C-N-CA 119.34 -0.944 . . . . 16.66 109.291 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.627 ' CG ' ' CM1' ' B' ' 4' ' ' M3L . 87.8 m-85 -123.51 167.84 13.37 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 117.308 2.336 . . . . 50.0 117.308 -173.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 1.007 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.3 128.02 7.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 CA-C-N 109.264 -3.607 . . . . 16.66 106.557 176.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -92.01 126.05 8.34 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 120.743 -0.741 . . . . 16.66 114.12 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 1.446 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 2.0 t -48.35 108.43 0.17 Allowed 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.993 -1.114 . . . . 16.66 107.993 176.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.511 ' CB ' HG22 ' A' ' 52' ' ' VAL . 22.4 t70 -50.14 -38.16 37.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.434 -0.506 . . . . 25.0 110.499 -178.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.536 ' C ' HE21 ' A' ' 30' ' ' GLN . 0.1 OUTLIER -103.93 -37.03 7.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.04 -0.527 . . . . 50.0 110.574 179.495 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 1.341 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.32 -8.88 58.36 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.991 0.424 . . . . 16.66 110.858 -178.366 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.561 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 10.4 mm-40 48.95 29.83 2.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.756 -0.656 . . . . 16.66 112.544 178.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.63 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 19.9 p30 -134.74 169.15 17.78 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 119.59 -0.844 . . . . 50.0 111.207 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 1.029 ' CD1' HM22 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -120.69 151.19 39.83 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 116.825 2.158 . . . . 16.66 116.825 -173.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.671 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -140.16 166.99 23.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.855 -1.52 . . . . 50.0 109.553 173.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.79 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -75.73 137.53 40.67 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 105.525 -2.028 . . . . 16.66 105.525 176.071 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.589 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.04 -40.61 3.37 Favored Glycine 0 C--N 1.304 -1.239 0 C-N-CA 119.454 -1.355 . . . . 16.66 112.166 -177.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -81.71 -21.87 37.73 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.208 -0.664 . . . . 50.0 109.208 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 4.6 t -52.31 -25.89 10.74 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 108.659 -0.867 . . . . 16.66 108.659 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.1 m -121.23 12.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 114.629 -1.168 . . . . 16.66 110.166 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 70.52 47.34 42.77 Favored Glycine 0 N--CA 1.462 0.408 0 CA-C-N 115.665 -0.698 . . . . 16.66 112.376 178.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.589 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -116.73 169.14 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.14 0.495 . . . . 16.66 111.691 -179.084 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.521 ' N ' HG23 ' A' ' 40' ' ' ILE . 18.5 mt -60.51 166.38 3.18 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.388 -0.824 . . . . 50.0 111.074 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -78.52 -54.18 6.43 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.618 -1.174 . . . . 25.0 110.042 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 45' ' ' ALA . 24.8 m -70.85 -16.52 62.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.755 -1.111 . . . . 50.0 109.86 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.866 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.4 mm-40 -42.16 -17.0 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.872 -0.604 . . . . 50.0 110.698 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.891 ' O ' HG21 ' B' ' 3' ' ' THR . . . -82.53 -54.69 4.98 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.347 -0.388 . . . . 25.0 112.028 -179.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.559 ' C ' ' H ' ' A' ' 48' ' ' ILE . 55.3 mp0 -77.6 -51.48 10.58 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.659 0.985 . . . . 50.0 113.659 -177.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.866 HD11 ' HA ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -72.05 15.13 0.17 Allowed 'General case' 0 CA--C 1.494 -1.181 0 CA-C-O 121.054 0.454 . . . . 16.66 110.354 -179.352 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.822 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -112.08 149.8 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 CA-C-N 115.26 -0.882 . . . . 25.0 113.214 -176.061 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.74 ' H ' HD13 ' A' ' 48' ' ' ILE . 60.3 t0 -166.54 36.65 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.466 -1.243 . . . . 50.0 110.09 -178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.601 ' N ' ' HB2' ' B' ' 1' ' ' ALA . 23.1 pt-20 -168.96 11.11 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.995 -0.743 . . . . 50.0 108.995 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.604 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 5.8 t80 -68.97 147.46 51.58 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 115.535 -0.757 . . . . 16.66 111.005 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.604 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 39.3 t -134.07 159.9 42.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 114.79 -1.095 . . . . 50.0 108.811 177.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.446 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.5 p -78.64 155.07 78.64 Favored Pre-proline 0 N--CA 1.413 -2.29 0 CA-C-O 121.488 0.661 . . . . 16.66 109.672 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 41.4 Cg_endo -76.13 -30.5 5.57 Favored 'Trans proline' 0 C--N 1.277 -3.224 0 C-N-CA 121.839 1.693 . . . . 16.66 111.202 -178.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.529 ' OE1' HG22 ' A' ' 12' ' ' ILE . 44.3 mt-30 -69.26 -32.39 71.55 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.632 -1.247 . . . . 50.0 107.632 177.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 1.16 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 5.6 m -65.07 -40.8 95.22 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.205 -1.361 . . . . 16.66 110.32 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 96.1 mt-30 -55.66 -26.21 43.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.584 -0.734 . . . . 50.0 111.085 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.8 m -58.73 -33.16 69.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.351 -0.386 . . . . 50.0 110.67 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.453 HG21 ' NH2' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -98.03 -64.77 1.01 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.019 0.377 . . . . 50.0 112.019 -179.188 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 62' ' ' ALA . 98.8 mt-10 59.21 16.31 4.82 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.735 0.303 . . . . 50.0 110.416 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 38.07 -88.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 50.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 118.033 -0.984 . . . . 50.0 110.6 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.601 ' HB2' ' N ' ' A' ' 50' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.544 ' NH2' ' O ' ' A' ' 26' ' ' CYS . 10.6 ttp-105 -82.98 53.84 2.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.752 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.891 HG21 ' O ' ' A' ' 45' ' ' ALA . 33.5 m -68.17 141.77 55.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.784 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' M3L . . . . . 1.029 HM22 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 N--CA 1.46 0.069 0 CA-C-O 121.045 0.45 . . . . 0.0 110.004 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.35 163.39 27.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.526 -179.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 15.8 p -71.34 160.75 32.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.57 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.05 176.24 5.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.762 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 61.61 100.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.701 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -75.88 138.36 41.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.101 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.763 ' O ' ' N ' ' B' ' 13' ' ' GLY . 19.4 t -55.39 -45.85 76.59 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.693 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.443 ' C ' ' O ' ' B' ' 10' ' ' SER . 64.6 m 33.5 -99.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.476 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' B' ' 14' ' ' LYS . . . -94.72 9.3 71.06 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' B' ' 10' ' ' SER . . . -64.14 57.93 0.07 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' B' ' 12' ' ' GLY . 19.1 tptm -56.02 -35.37 66.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.693 0.282 . . . . 0.0 110.326 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.486 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.54 ' CD1' ' HD1' ' A' ' 32' ' ' TRP . 8.7 m-85 . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.99 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 43.1 t -36.39 134.21 0.46 Allowed 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.281 1.039 . . . . 16.66 113.045 -177.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.729 HG23 ' CD1' ' A' ' 33' ' ' TYR . 7.5 pt -59.91 -7.39 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 113.328 -1.76 . . . . 50.0 108.03 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.99 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -92.46 25.21 3.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 113.546 -1.661 . . . . 16.66 111.326 -178.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 13' ' ' CYS . 47.8 pttt 42.45 72.39 0.18 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -151.95 123.57 3.81 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 116.227 -0.442 . . . . 50.0 110.409 178.542 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 7.7 Cg_exo -69.55 177.18 5.69 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 122.288 1.992 . . . . 50.0 111.955 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.519 ' HB2' ' HE2' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -61.85 133.28 55.27 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.663 0.745 . . . . 50.0 111.231 -179.123 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.761 ' C ' ' H ' ' A' ' 20' ' ' SER . 77.5 m-20 -141.24 114.26 8.54 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 114.433 -1.258 . . . . 50.0 107.768 177.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.15 7.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.145 0.498 . . . . 50.0 110.246 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.761 ' H ' ' C ' ' A' ' 18' ' ' ASP . 2.6 t -105.82 -7.34 18.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.872 -1.159 . . . . 50.0 107.872 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.69 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 3.7 tptp -115.26 131.76 56.83 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 113.923 -1.489 . . . . 50.0 108.142 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 46.6 p90 -109.68 141.29 42.47 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.127 -0.694 . . . . 16.66 109.127 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.58 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 24.2 m-85 -116.8 175.74 5.44 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 116.532 2.049 . . . . 50.0 116.532 -175.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.0 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.98 128.86 6.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-N 109.161 -3.654 . . . . 16.66 106.464 177.564 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -88.46 126.29 8.06 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 120.955 -0.641 . . . . 16.66 114.201 -177.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 1.423 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.7 t -47.72 113.23 0.67 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.97 -1.492 . . . . 16.66 106.97 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.629 ' HB3' HG22 ' A' ' 52' ' ' VAL . 22.1 t70 -63.13 -35.43 80.25 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.647 0.737 . . . . 25.0 109.617 -178.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -102.51 -27.28 12.87 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 114.555 -1.202 . . . . 50.0 110.563 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.327 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -89.45 -28.12 19.92 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 119.751 -0.78 . . . . 16.66 110.397 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.792 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER 74.08 25.65 1.8 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.773 0.657 . . . . 16.66 112.773 178.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.617 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 25.6 p30 -133.58 169.71 16.6 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 121.749 -0.594 . . . . 50.0 111.353 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.54 ' HD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -118.09 149.22 41.37 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 116.59 2.07 . . . . 16.66 116.59 -174.377 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.729 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -140.46 165.18 28.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 113.936 -1.484 . . . . 50.0 108.606 173.58 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.69 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -71.68 143.37 49.72 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 106.501 -1.666 . . . . 16.66 106.501 176.4 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.31 -49.66 5.57 Favored Glycine 0 C--N 1.307 -1.052 0 C-N-CA 119.72 -1.229 . . . . 16.66 111.517 -178.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.497 ' C ' ' H ' ' A' ' 39' ' ' GLY . 3.1 ptt180 -76.41 -20.41 57.13 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.033 0.444 . . . . 50.0 109.912 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.943 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 4.5 t -50.95 -28.05 8.94 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.722 -0.844 . . . . 16.66 108.722 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.6 m -117.2 13.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 114.828 -1.078 . . . . 16.66 110.104 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.02 46.71 34.87 Favored Glycine 0 CA--C 1.52 0.4 0 CA-C-N 115.311 -0.859 . . . . 16.66 112.37 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.502 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -114.79 168.04 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.169 0.509 . . . . 16.66 111.303 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.491 ' N ' HG23 ' A' ' 40' ' ' ILE . 29.8 mt -62.01 166.01 5.03 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.344 -0.844 . . . . 50.0 110.934 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.416 ' CA ' HE21 ' A' ' 42' ' ' GLN . 0.6 OUTLIER -79.29 -55.33 5.16 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.113 -0.949 . . . . 25.0 110.762 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 46' ' ' GLU . 47.2 t -66.18 -16.96 64.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.39 -0.823 . . . . 50.0 109.344 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 1.048 ' O ' ' HB ' ' A' ' 48' ' ' ILE . 1.1 mm-40 -44.2 -19.76 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.386 -0.824 . . . . 50.0 110.548 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.905 ' O ' HG21 ' B' ' 3' ' ' THR . . . -74.67 -38.93 62.3 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 120.489 -0.484 . . . . 25.0 110.23 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.565 ' C ' ' H ' ' A' ' 48' ' ' ILE . 85.2 tt0 -87.54 -53.06 5.0 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.99 0.737 . . . . 50.0 112.99 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.74 HD11 ' HA ' ' A' ' 44' ' ' GLU . 4.3 pp -66.74 12.49 0.07 Allowed 'General case' 0 CA--C 1.494 -1.205 0 CA-C-N 115.746 -0.661 . . . . 16.66 111.028 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.048 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -117.26 150.37 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 119.426 -0.91 . . . . 25.0 113.148 -176.425 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.757 ' H ' HD13 ' A' ' 48' ' ' ILE . 61.3 t0 -169.19 27.78 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.64 -1.164 . . . . 50.0 110.238 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.509 ' H ' HD12 ' A' ' 48' ' ' ILE . 3.1 mt-10 -161.5 14.76 0.1 Allowed 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.137 -1.06 . . . . 50.0 108.137 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 51' ' ' TYR . 2.3 t80 -68.07 147.3 52.55 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 115.135 -0.939 . . . . 16.66 110.7 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.629 HG22 ' HB3' ' A' ' 27' ' ' ASP . 14.3 t -131.65 159.93 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.96 0 CA-C-N 114.61 -1.177 . . . . 50.0 108.601 177.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.423 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 8.2 p -80.42 155.64 73.97 Favored Pre-proline 0 N--CA 1.415 -2.213 0 CA-C-O 121.431 0.634 . . . . 16.66 110.117 -178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 24.6 Cg_endo -79.1 -23.12 7.99 Favored 'Trans proline' 0 C--N 1.273 -3.402 0 C-N-CA 121.97 1.78 . . . . 16.66 110.874 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -74.19 -38.99 63.47 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.616 -0.883 . . . . 50.0 108.616 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-N 115.292 -0.867 . . . . 16.66 110.757 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 93.1 mtm-85 . . . . . 0 CA--C 1.519 -0.232 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.905 HG21 ' O ' ' A' ' 45' ' ' ALA . 24.5 m . . . . . 0 N--CA 1.452 -0.357 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.351 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.505 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 2.2 m-85 . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 1.4 t -33.14 126.52 0.34 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 114.035 -1.438 . . . . 16.66 113.578 -177.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.694 HG23 ' CD1' ' A' ' 33' ' ' TYR . 27.1 pt -52.79 -6.91 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 CA-C-N 112.234 -2.257 . . . . 50.0 109.106 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.009 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER -90.42 7.92 36.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.199 -1.364 . . . . 16.66 109.27 179.427 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' CYS . 7.9 ptmm? 50.68 70.97 0.46 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 114.566 -1.197 . . . . 25.0 114.219 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.543 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 1.5 p -147.68 122.12 5.03 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 116.703 -0.226 . . . . 50.0 110.688 177.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -48.75 -174.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 123.272 2.648 . . . . 50.0 112.732 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.533 ' CE1' ' CE1' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -77.58 130.77 37.33 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 121.522 0.677 . . . . 50.0 110.868 -179.478 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.751 ' C ' ' H ' ' A' ' 20' ' ' SER . 85.4 m-20 -141.04 116.95 10.44 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.757 -1.11 . . . . 50.0 108.384 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -57.7 8.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.447 -0.575 . . . . 50.0 109.447 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.751 ' H ' ' C ' ' A' ' 18' ' ' ASP . 49.6 m -102.95 -3.64 25.83 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.211 -1.403 . . . . 50.0 107.211 178.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.913 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 5.9 tptt -127.15 131.03 50.83 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 113.326 -1.761 . . . . 50.0 107.299 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 46.7 p90 -110.66 136.89 49.06 Favored 'General case' 0 CA--C 1.496 -1.101 0 CA-C-O 121.937 0.875 . . . . 16.66 110.928 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 43.2 m-85 -111.31 174.47 5.85 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 116.462 2.023 . . . . 50.0 116.462 -175.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.018 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.19 134.51 16.06 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 CA-C-N 109.351 -3.568 . . . . 16.66 106.176 176.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -97.46 122.62 7.52 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 120.803 -0.713 . . . . 16.66 114.13 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 1.316 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 4.7 t -51.61 125.31 14.38 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.853 -0.795 . . . . 16.66 108.853 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.543 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 60.6 t0 -60.62 -37.75 82.46 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.047 -0.661 . . . . 25.0 110.256 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -103.04 -29.89 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.947 -0.57 . . . . 50.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.316 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -88.2 0.12 56.45 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.102 0.477 . . . . 16.66 110.295 -178.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 4.8 pt20 30.68 34.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.255 -0.884 . . . . 16.66 112.218 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 29' ' ' CYS . 21.2 p30 -133.49 170.59 15.28 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 120.511 -0.476 . . . . 50.0 110.989 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.505 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -123.82 151.18 43.66 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 116.622 2.082 . . . . 16.66 116.622 -173.53 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.716 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -139.12 158.52 44.04 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 113.589 -1.641 . . . . 50.0 108.909 173.488 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.913 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -71.5 140.37 49.93 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 106.121 -1.807 . . . . 16.66 106.121 176.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.544 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -43.14 -46.11 6.38 Favored Glycine 0 C--N 1.308 -1.005 0 C-N-CA 119.607 -1.282 . . . . 16.66 111.476 -178.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.419 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -79.88 -20.31 46.17 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.597 -0.519 . . . . 50.0 109.597 179.192 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER -51.78 -27.01 10.87 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.893 -0.723 . . . . 16.66 109.102 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.4 m -123.39 10.49 5.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.212 -0.904 . . . . 16.66 110.653 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.36 45.81 36.54 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 115.431 -0.804 . . . . 16.66 112.562 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.544 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -109.7 167.59 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.643 -0.423 . . . . 16.66 110.942 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.0 mp -60.2 164.62 4.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 50.0 110.232 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.28 -55.54 5.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.591 -178.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.637 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 74.9 m -70.19 -15.95 63.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.384 -0.825 . . . . 50.0 109.245 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.752 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -41.14 -20.1 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.159 -0.928 . . . . 50.0 111.049 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.734 ' O ' HG21 ' B' ' 3' ' ' THR . . . -74.79 -47.36 31.23 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 120.55 -0.46 . . . . 25.0 111.147 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -86.86 -44.51 11.64 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.89 1.07 . . . . 50.0 113.89 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.028 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -55.35 -24.48 29.66 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.036 0.384 . . . . 16.66 112.036 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.028 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -85.87 171.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.589 0.709 . . . . 25.0 109.984 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 49' ' ' ASP . 56.9 t0 -161.35 12.76 0.09 Allowed 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.642 -1.163 . . . . 50.0 109.115 -178.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -158.28 41.12 0.26 Allowed 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 105.804 -1.924 . . . . 50.0 105.804 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.716 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 63.4 t80 -66.24 146.55 54.48 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 114.418 -1.265 . . . . 16.66 112.063 -177.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.716 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 20.0 t -137.18 156.8 34.45 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 CA-C-N 113.124 -1.853 . . . . 50.0 109.035 178.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.234 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 1.6 p -79.25 162.47 63.87 Favored Pre-proline 0 N--CA 1.417 -2.109 0 N-CA-C 108.539 -0.911 . . . . 16.66 108.539 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 17.3 Cg_endo -82.73 -28.84 1.55 Allowed 'Trans proline' 0 C--N 1.277 -3.186 0 C-N-CA 121.672 1.581 . . . . 16.66 111.399 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.401 ' HA ' HE21 ' A' ' 55' ' ' GLN . 1.4 mm-40 -76.08 -28.33 57.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.558 -0.746 . . . . 50.0 109.03 177.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.967 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 15.5 m . . . . . 0 C--N 1.333 -0.124 0 CA-C-N 115.573 -0.74 . . . . 16.66 109.894 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.543 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 23.3 mtm180 . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 120.769 0.318 . . . . 0.0 110.79 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.734 HG21 ' O ' ' A' ' 45' ' ' ALA . 17.2 m . . . . . 0 C--N 1.327 -0.374 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.543 ' CD1' ' HD1' ' A' ' 32' ' ' TRP . 19.2 m-85 . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 121.229 0.538 . . . . 25.0 111.221 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.958 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 8.1 t -36.24 134.92 0.39 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.974 0.892 . . . . 16.66 111.964 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.703 HG22 ' NE2' ' A' ' 55' ' ' GLN . 16.6 pt -51.1 -7.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 113.852 -1.522 . . . . 50.0 108.156 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.958 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -85.72 -25.12 26.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 113.554 -1.657 . . . . 16.66 110.852 -179.572 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 21.1 mttp 83.31 78.89 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.212 0.449 . . . . 25.0 112.212 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.549 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 43.2 p -148.67 148.54 28.36 Favored Pre-proline 0 N--CA 1.468 0.471 0 C-N-CA 121.126 -0.23 . . . . 50.0 111.479 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -70.18 168.63 21.57 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.965 2.444 . . . . 50.0 111.64 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.495 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 1.1 t80 -72.21 118.82 15.56 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 120.372 -0.531 . . . . 50.0 110.908 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.724 ' C ' ' H ' ' A' ' 20' ' ' SER . 0.5 OUTLIER -121.36 120.61 35.54 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.873 -0.788 . . . . 50.0 108.873 178.025 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.6 5.52 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.897 -0.779 . . . . 50.0 108.897 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.724 ' H ' ' C ' ' A' ' 18' ' ' ASP . 37.2 m -103.19 -14.83 16.21 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 114.83 -1.077 . . . . 50.0 108.183 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.673 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -106.29 130.42 54.14 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 106.805 -1.554 . . . . 50.0 106.805 179.118 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 36.9 p90 -107.97 148.9 29.05 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 108.566 -0.901 . . . . 16.66 108.566 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.55 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 14.8 m-85 -126.99 175.49 8.04 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 124.385 2.04 . . . . 50.0 115.605 -175.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.024 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -143.69 128.95 15.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 CA-C-N 109.124 -3.671 . . . . 16.66 105.982 177.524 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.503 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -94.02 123.64 7.55 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.313 -0.946 . . . . 16.66 114.134 -177.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 1.473 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.6 OUTLIER -48.42 108.89 0.19 Allowed 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.283 -1.377 . . . . 16.66 107.283 176.235 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.518 ' HA ' HH12 ' B' ' 2' ' ' ARG . 90.9 m-20 -63.48 -36.43 83.74 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-O 122.18 0.991 . . . . 25.0 108.458 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 -94.34 -37.82 11.29 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 113.594 -1.639 . . . . 50.0 111.014 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.327 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -84.04 -28.33 27.71 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.882 -0.727 . . . . 16.66 110.988 -178.87 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.808 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 79.04 21.48 0.67 Allowed 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.79 1.033 . . . . 16.66 113.79 178.163 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.619 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 26.9 p30 -135.01 170.03 16.53 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 119.23 0.923 . . . . 50.0 112.419 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.543 ' HD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -116.15 147.6 41.21 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 116.145 1.906 . . . . 16.66 116.145 -175.154 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.681 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -139.05 162.14 35.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.017 -0.992 . . . . 50.0 109.653 173.796 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.673 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -70.89 139.0 50.63 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 106.143 -1.799 . . . . 16.66 106.143 176.715 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.2 -47.76 5.48 Favored Glycine 0 C--N 1.306 -1.099 0 C-N-CA 119.627 -1.273 . . . . 16.66 111.627 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.409 ' HG3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -79.12 -18.01 54.02 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.123 -0.631 . . . . 50.0 109.727 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.958 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 5.6 t -50.43 -30.67 13.09 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.38 -0.928 . . . . 16.66 108.668 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.7 m -116.66 15.02 7.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 114.92 -1.037 . . . . 16.66 110.881 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.22 45.82 59.97 Favored Glycine 0 N--CA 1.461 0.304 0 CA-C-N 115.795 -0.639 . . . . 16.66 111.965 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.502 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -112.32 167.69 5.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.084 0.468 . . . . 16.66 110.967 -179.403 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.493 ' N ' HG23 ' A' ' 40' ' ' ILE . 35.1 mt -62.57 165.81 5.94 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.622 -0.717 . . . . 50.0 110.49 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.407 ' CA ' HE21 ' A' ' 42' ' ' GLN . 0.5 OUTLIER -79.63 -55.23 5.17 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.468 -0.787 . . . . 25.0 110.358 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.584 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 75.7 m -67.33 -16.29 64.17 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.292 -0.867 . . . . 50.0 109.094 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.776 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -42.46 -20.89 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 115.497 -0.774 . . . . 50.0 110.409 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.904 ' O ' HG21 ' B' ' 3' ' ' THR . . . -70.5 -46.52 63.54 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.923 -0.58 . . . . 25.0 110.871 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' HG2' ' H ' ' A' ' 47' ' ' LEU . 13.0 pm0 -89.85 -42.61 11.14 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.604 1.335 . . . . 50.0 114.604 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.069 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -56.4 -27.08 55.31 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.445 0.906 . . . . 16.66 113.445 -176.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.069 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.1 pp -85.47 172.27 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.71 0.767 . . . . 25.0 110.418 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 49' ' ' ASP . 54.7 t0 -160.97 17.73 0.12 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.326 -1.307 . . . . 50.0 108.969 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -162.28 35.29 0.12 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 114.034 -1.439 . . . . 50.0 107.236 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.637 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 17.2 t80 -66.22 145.71 55.45 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 115.061 -0.972 . . . . 16.66 111.201 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.637 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 16.1 t -135.6 157.57 39.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 CA-C-N 113.717 -1.583 . . . . 50.0 108.565 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.473 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.8 p -79.87 158.88 72.29 Favored Pre-proline 0 N--CA 1.411 -2.391 0 CA-C-O 121.321 0.582 . . . . 16.66 109.57 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.474 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 18.9 Cg_endo -81.66 -25.33 3.72 Favored 'Trans proline' 0 C--N 1.275 -3.313 0 C-N-CA 121.95 1.767 . . . . 16.66 110.759 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.703 ' NE2' HG22 ' A' ' 12' ' ' ILE . 98.5 mt-30 -70.81 -35.7 72.63 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.201 -1.037 . . . . 50.0 108.201 177.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.402 0 CA-C-N 114.999 -1.0 . . . . 16.66 109.691 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.652 HH22 ' N ' ' A' ' 26' ' ' CYS . 13.8 ttp-105 . . . . . 0 C--O 1.232 0.175 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.904 HG21 ' O ' ' A' ' 45' ' ' ALA . 20.3 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.009 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.503 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 16.5 m-85 . . . . . 0 CA--C 1.53 0.18 0 CA-C-O 121.315 0.578 . . . . 25.0 112.454 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 1.127 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -35.63 131.28 0.51 Allowed 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 122.49 1.138 . . . . 16.66 112.391 -177.742 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.726 HG23 ' CD1' ' A' ' 33' ' ' TYR . 14.2 pt -47.78 -7.41 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 112.703 -2.044 . . . . 50.0 109.827 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.968 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.5 OUTLIER -90.14 12.38 18.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.861 -1.063 . . . . 16.66 109.785 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 11' ' ' CYS . 15.7 pttp 45.73 78.79 0.06 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.369 -0.832 . . . . 25.0 113.22 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.527 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 2.9 p -149.33 144.97 18.49 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-N 116.501 -0.318 . . . . 50.0 110.948 178.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -70.66 170.41 17.72 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 123.013 2.475 . . . . 50.0 112.274 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.521 ' HD1' ' H ' ' A' ' 18' ' ' ASP . 0.8 OUTLIER -67.07 134.69 52.36 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.425 0.631 . . . . 50.0 110.565 -179.544 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.736 ' C ' ' H ' ' A' ' 20' ' ' SER . 62.1 m-20 -140.21 113.99 8.81 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.018 -0.992 . . . . 50.0 108.887 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -57.03 7.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.248 0.547 . . . . 50.0 109.999 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.736 ' H ' ' C ' ' A' ' 18' ' ' ASP . 25.2 m -107.05 1.02 24.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.079 -1.082 . . . . 50.0 108.079 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.91 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 1.6 tptm -125.74 132.09 52.41 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.009 -1.451 . . . . 50.0 108.118 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 41.9 p90 -105.83 146.91 29.28 Favored 'General case' 0 CA--C 1.496 -1.102 0 C-N-CA 120.008 -0.677 . . . . 16.66 110.18 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.515 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 51.9 m-85 -123.91 173.87 7.93 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 124.045 1.879 . . . . 50.0 115.972 -175.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.02 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -143.44 130.56 17.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 CA-C-N 109.833 -3.349 . . . . 16.66 106.389 176.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.54 124.31 7.56 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 120.316 -0.945 . . . . 16.66 113.92 -177.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 1.457 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.4 t -48.98 110.35 0.35 Allowed 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.078 -1.082 . . . . 16.66 108.078 176.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.633 ' HB3' HG22 ' A' ' 52' ' ' VAL . 58.0 t0 -62.65 -35.7 80.48 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.308 0.575 . . . . 25.0 110.02 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.67 -25.15 13.66 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.109 -0.95 . . . . 50.0 110.299 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.331 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -91.17 -28.25 17.98 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 119.891 -0.724 . . . . 16.66 110.036 179.148 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.788 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 76.79 21.41 1.22 Allowed 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.303 0.853 . . . . 16.66 113.303 178.718 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.564 ' H ' ' CB ' ' A' ' 26' ' ' CYS . 26.0 p30 -135.03 172.07 13.53 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 118.972 0.805 . . . . 50.0 112.811 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.503 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -114.76 149.7 36.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 117.327 2.343 . . . . 16.66 117.327 -173.728 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.73 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -139.93 154.13 47.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.139 -1.391 . . . . 50.0 109.8 172.36 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.991 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 0.4 OUTLIER -67.53 141.59 56.83 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 105.303 -2.11 . . . . 16.66 105.303 176.155 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.544 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.37 -56.41 4.1 Favored Glycine 0 C--N 1.31 -0.899 0 C-N-CA 119.482 -1.342 . . . . 16.66 111.9 -177.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.485 ' HE ' ' HE2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -73.88 -18.14 60.96 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.155 -0.618 . . . . 50.0 110.038 179.528 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 1.127 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.8 t -50.51 -29.19 9.96 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.387 -0.968 . . . . 16.66 108.387 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 m -119.09 9.41 6.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.12 -0.945 . . . . 16.66 110.73 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 74.9 45.9 19.22 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 121.209 -0.519 . . . . 16.66 112.194 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.544 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -112.75 167.89 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.844 0.354 . . . . 16.66 110.825 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.4 mm? -60.5 164.77 4.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.364 0.602 . . . . 50.0 110.346 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.1 -55.59 5.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.493 -0.776 . . . . 25.0 110.359 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.582 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 58.1 m -70.03 -15.24 62.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.376 -0.829 . . . . 50.0 109.327 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.741 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -41.8 -20.93 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.352 -0.84 . . . . 50.0 110.953 -178.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.741 ' O ' HG21 ' B' ' 3' ' ' THR . . . -71.53 -47.13 57.15 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 120.639 -0.424 . . . . 25.0 110.82 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -88.24 -43.92 11.23 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.48 1.289 . . . . 50.0 114.48 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.041 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -55.5 -25.34 36.64 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.885 0.698 . . . . 16.66 112.885 -177.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.041 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.0 pp -85.62 172.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.683 0.754 . . . . 25.0 110.328 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -161.47 20.21 0.12 Allowed 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.319 -1.31 . . . . 50.0 109.086 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' A' ' 50' ' ' GLU . 1.6 pp20? -166.16 35.04 0.05 OUTLIER 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 106.821 -1.548 . . . . 50.0 106.821 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.665 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 20.8 t80 -66.4 146.63 54.35 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 114.937 -1.028 . . . . 16.66 111.374 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.665 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 14.5 t -137.31 159.79 35.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 113.554 -1.657 . . . . 50.0 108.875 177.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.457 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.4 p -80.66 158.05 71.42 Favored Pre-proline 0 N--CA 1.416 -2.147 0 CA-C-O 121.355 0.598 . . . . 16.66 109.712 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 19.1 Cg_endo -82.18 -23.79 4.2 Favored 'Trans proline' 0 C--N 1.276 -3.274 0 C-N-CA 121.877 1.718 . . . . 16.66 110.905 -179.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -74.75 -37.48 62.47 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.878 -0.786 . . . . 50.0 108.878 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 1.142 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-N 115.72 -0.673 . . . . 16.66 110.109 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.629 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 13.5 ptt-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.216 0.531 . . . . 0.0 110.784 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.741 HG21 ' O ' ' A' ' 45' ' ' ALA . 31.4 m . . . . . 0 C--N 1.329 -0.293 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 16.6 m-85 . . . . . 0 N--CA 1.448 -0.567 0 CA-C-O 121.229 0.538 . . . . 25.0 110.789 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 1.117 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -37.09 132.68 0.7 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 122.427 1.108 . . . . 16.66 111.868 -178.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.715 HG23 ' CD1' ' A' ' 33' ' ' TYR . 21.0 pt -46.15 -6.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-N 112.721 -2.036 . . . . 50.0 110.202 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.98 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -85.26 -28.39 25.37 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.271 -0.877 . . . . 16.66 110.724 179.459 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.577 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 93.2 mttt 84.28 78.42 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.192 0.442 . . . . 25.0 112.192 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.598 HG22 ' NE2' ' A' ' 34' ' ' HIS . 0.5 OUTLIER -152.45 147.09 18.97 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 120.966 -0.294 . . . . 50.0 111.184 178.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.13 153.66 57.03 Favored 'Trans proline' 0 N--CA 1.504 2.135 0 C-N-CA 123.594 2.862 . . . . 50.0 112.509 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.559 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 1.8 t80 -67.69 124.06 22.22 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.04 0.448 . . . . 50.0 109.974 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.557 ' C ' ' H ' ' A' ' 20' ' ' SER . 63.5 t0 -133.86 133.36 41.44 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.59 -0.732 . . . . 50.0 110.232 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.18 1.53 0.46 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.669 -0.696 . . . . 50.0 109.179 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.557 ' H ' ' C ' ' A' ' 18' ' ' ASP . 73.2 m -96.81 -7.62 33.18 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 107.791 -1.189 . . . . 50.0 107.791 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.862 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 5.4 tptp -123.55 131.41 53.62 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 113.451 -1.704 . . . . 50.0 107.224 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 44.6 p90 -109.6 138.99 45.16 Favored 'General case' 0 CA--C 1.495 -1.136 0 C-N-CA 119.818 -0.753 . . . . 16.66 110.478 -179.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 12.1 m-85 -116.27 173.97 6.3 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-O 123.901 1.81 . . . . 50.0 115.294 -176.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.033 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -145.59 133.17 15.73 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 CA-C-N 110.074 -3.239 . . . . 16.66 107.203 178.125 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -92.76 127.31 8.93 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 120.568 -0.825 . . . . 16.66 113.929 -178.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 1.316 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 7.9 t -58.4 114.31 2.38 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.67 0.788 . . . . 16.66 108.927 177.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.577 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 59.3 t0 -50.86 -34.4 27.91 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.335 -0.546 . . . . 25.0 110.83 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.5 -35.26 7.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.493 -0.321 . . . . 50.0 110.765 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.316 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -83.43 -0.12 48.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.105 0.478 . . . . 16.66 110.39 -178.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 4.2 pt20 33.21 33.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.964 -1.016 . . . . 16.66 112.948 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.474 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 20.6 p30 -133.34 169.83 16.35 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 120.279 -0.568 . . . . 50.0 110.899 178.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.507 ' HA ' ' O ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -121.93 149.11 43.9 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 116.172 1.915 . . . . 16.66 116.172 -174.448 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.747 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -135.62 158.22 44.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.713 -1.13 . . . . 50.0 110.014 173.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.953 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 1.4 m80 -70.31 138.95 51.94 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 105.577 -2.009 . . . . 16.66 105.577 176.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -45.5 -42.39 9.89 Favored Glycine 0 C--N 1.303 -1.263 0 C-N-CA 119.126 -1.511 . . . . 16.66 111.157 -178.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.48 ' CD ' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -80.52 -20.61 43.16 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.299 -0.561 . . . . 50.0 109.568 179.069 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 1.117 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.5 OUTLIER -53.61 -25.71 18.76 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.744 -0.835 . . . . 16.66 108.744 179.613 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.3 m -125.57 9.42 4.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.225 -0.898 . . . . 16.66 111.132 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.21 45.98 37.07 Favored Glycine 0 N--CA 1.462 0.419 0 CA-C-N 115.998 -0.546 . . . . 16.66 112.497 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.503 HG12 ' OE1' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -108.15 166.91 4.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 110.238 -0.282 . . . . 16.66 110.238 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.756 ' N ' ' OE1' ' A' ' 44' ' ' GLU . 9.3 mp -60.37 164.43 4.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.219 0.533 . . . . 50.0 109.867 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.47 -56.18 4.64 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.442 -0.799 . . . . 25.0 111.166 -178.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.579 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 73.5 m -71.43 -15.41 62.34 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.708 . . . . 50.0 109.277 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.784 ' HA ' HD11 ' A' ' 47' ' ' LEU . 2.5 tt0 -42.97 -19.4 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 115.467 -0.788 . . . . 50.0 111.105 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.765 ' O ' HG21 ' B' ' 3' ' ' THR . . . -68.6 -50.1 54.19 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.529 -0.468 . . . . 25.0 110.959 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -87.8 -44.43 11.12 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.417 1.265 . . . . 50.0 114.417 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.081 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -55.04 -23.97 22.57 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.528 0.566 . . . . 16.66 112.528 -177.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.081 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -85.8 171.82 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.504 0.668 . . . . 25.0 110.102 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.417 ' H ' ' H ' ' A' ' 50' ' ' GLU . 22.0 t70 -161.1 8.54 0.08 Allowed 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.67 -1.15 . . . . 50.0 109.456 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.417 ' H ' ' H ' ' A' ' 49' ' ' ASP . 21.4 pt-20 -149.69 36.15 0.71 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 106.564 -1.643 . . . . 50.0 106.564 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.648 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 55.9 t80 -66.97 145.57 55.28 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.536 -1.211 . . . . 16.66 112.495 -177.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.648 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 9.2 t -138.51 157.72 30.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 113.137 -1.847 . . . . 50.0 108.643 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.305 ' CB ' ' HG ' ' A' ' 26' ' ' CYS . 1.4 p -75.61 160.52 79.08 Favored Pre-proline 0 N--CA 1.413 -2.303 0 N-CA-C 108.356 -0.979 . . . . 16.66 108.356 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 26.4 Cg_endo -81.17 -25.19 4.12 Favored 'Trans proline' 0 C--N 1.275 -3.321 0 C-N-CA 121.735 1.623 . . . . 16.66 111.577 -178.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -78.84 -29.11 44.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.249 -1.019 . . . . 50.0 108.249 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 1.044 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 38.4 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 114.351 -1.295 . . . . 16.66 110.314 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.577 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 4.4 ptt85 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.22 0.533 . . . . 0.0 110.071 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.765 HG21 ' O ' ' A' ' 45' ' ' ALA . 17.3 m . . . . . 0 C--N 1.327 -0.374 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 10.4 m-85 . . . . . 0 N--CA 1.449 -0.52 0 CA-C-O 121.001 0.429 . . . . 25.0 110.952 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 1.083 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -37.93 132.45 0.96 Allowed 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 122.318 1.056 . . . . 16.66 111.747 -178.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.76 HG23 ' CD1' ' A' ' 33' ' ' TYR . 19.6 pt -47.79 -6.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 CA-C-N 113.05 -1.886 . . . . 50.0 110.205 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.015 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -81.26 -27.45 35.16 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.169 -0.923 . . . . 16.66 110.652 179.444 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 22.9 mtmm 85.95 78.78 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.483 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 19.5 p -156.03 148.62 17.89 Favored Pre-proline 0 N--CA 1.468 0.433 0 CA-C-O 120.629 0.252 . . . . 50.0 110.96 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.07 166.4 25.01 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 123.114 2.542 . . . . 50.0 112.166 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.533 ' HD1' ' H ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -65.14 135.75 55.86 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.397 0.618 . . . . 50.0 110.496 -179.353 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.73 ' C ' ' H ' ' A' ' 20' ' ' SER . 83.8 m-20 -139.4 114.51 9.58 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 114.825 -1.079 . . . . 50.0 108.761 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -55.99 4.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.206 0.526 . . . . 50.0 109.637 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.73 ' H ' ' C ' ' A' ' 18' ' ' ASP . 15.1 m -102.38 -6.19 23.29 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.633 -0.877 . . . . 50.0 108.633 178.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.74 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 2.4 tptm -120.08 134.12 55.34 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 114.71 -1.132 . . . . 50.0 108.277 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.714 ' CZ ' ' NE2' ' A' ' 42' ' ' GLN . 51.3 p90 -109.47 141.25 42.18 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.751 -0.658 . . . . 16.66 109.671 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.622 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 7.0 m-85 -119.01 175.66 5.66 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 123.939 1.828 . . . . 50.0 114.851 -176.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.11 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -142.9 122.57 9.27 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 CA-C-N 110.153 -3.203 . . . . 16.66 108.012 178.227 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -93.22 120.5 6.24 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 110.727 -0.949 . . . . 16.66 110.727 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 1.373 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -82.25 113.99 20.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.802 0.811 . . . . 16.66 110.0 -179.365 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.594 ' N ' ' HE ' ' B' ' 2' ' ' ARG . 93.2 m-20 -39.21 -39.4 0.61 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.179 -1.373 . . . . 25.0 114.005 -176.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.654 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -102.59 -9.51 20.07 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.285 -0.566 . . . . 50.0 110.689 -179.069 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.44 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -100.6 -3.48 30.4 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.802 -0.814 . . . . 16.66 108.802 179.714 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.595 ' C ' HH22 ' B' ' 2' ' ' ARG . 0.1 OUTLIER 37.31 16.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.251 -1.341 . . . . 16.66 113.653 177.331 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.846 HD22 ' H ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -134.17 168.88 18.05 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 119.175 -1.01 . . . . 50.0 112.283 -179.854 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.583 ' CZ3' ' NH1' ' B' ' 2' ' ' ARG . 0.0 OUTLIER -115.29 143.74 44.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 114.731 1.382 . . . . 16.66 114.731 -175.126 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.796 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -130.47 148.91 52.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.895 -0.593 . . . . 50.0 111.011 175.504 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 1.043 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -62.79 141.44 58.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 104.869 -2.271 . . . . 16.66 104.869 175.496 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.517 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.01 -59.47 2.91 Favored Glycine 0 C--N 1.31 -0.894 0 C-N-CA 119.491 -1.337 . . . . 16.66 111.862 -177.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.433 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -69.34 -19.97 63.86 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.498 -0.481 . . . . 50.0 110.56 179.797 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 1.083 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.2 t -50.72 -30.87 14.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 119.555 -0.858 . . . . 16.66 108.927 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.6 m -116.87 10.89 7.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.298 -0.864 . . . . 16.66 110.753 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 74.13 45.53 25.26 Favored Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.8 -0.637 . . . . 16.66 112.176 178.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.517 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -114.59 167.12 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.139 0.495 . . . . 16.66 111.037 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.55 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 76.4 mt -65.08 165.87 10.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.435 -0.802 . . . . 50.0 111.36 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.807 HE21 ' C ' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -79.09 -56.49 4.33 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.91 -1.041 . . . . 25.0 109.944 -179.712 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.67 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 41.6 m -59.11 -27.89 66.01 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.168 -0.924 . . . . 50.0 109.026 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.857 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -42.1 -19.15 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 114.698 -1.137 . . . . 50.0 111.315 -177.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.936 ' O ' HG21 ' B' ' 3' ' ' THR . . . -69.06 -54.06 17.06 Favored 'General case' 0 C--N 1.31 -1.119 0 C-N-CA 120.227 -0.589 . . . . 25.0 110.337 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -88.4 -43.4 11.52 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 115.017 1.488 . . . . 50.0 115.017 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.11 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.5 pp -55.57 -26.14 41.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.331 0.863 . . . . 16.66 113.331 -176.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.11 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.4 pp -85.48 171.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.775 0.797 . . . . 25.0 110.109 -179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 49' ' ' ASP . 51.1 t0 -160.81 10.46 0.09 Allowed 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 114.346 -1.297 . . . . 50.0 108.923 -178.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -151.42 35.27 0.57 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 113.974 -1.466 . . . . 50.0 107.263 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.704 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 21.8 t80 -66.79 148.47 51.89 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.181 -0.918 . . . . 16.66 111.298 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.704 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 13.1 t -137.96 159.49 33.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.083 -1.417 . . . . 50.0 110.561 178.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.44 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -72.57 163.16 69.95 Favored Pre-proline 0 CA--C 1.481 -1.678 0 N-CA-C 108.458 -0.942 . . . . 16.66 108.458 -179.487 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -82.33 -23.98 3.98 Favored 'Trans proline' 0 C--N 1.262 -3.996 0 C-N-CA 121.348 1.366 . . . . 16.66 109.313 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -88.86 -57.99 2.71 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.763 -1.108 . . . . 50.0 110.751 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 1.301 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 27.5 p . . . . . 0 N--CA 1.465 0.28 0 N-CA-C 113.12 0.785 . . . . 16.66 113.12 -178.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.813 HH22 ' N ' ' A' ' 31' ' ' ASN . 31.8 ptt85 . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 121.149 0.5 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.936 HG21 ' O ' ' A' ' 45' ' ' ALA . 18.5 m . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.142 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 43.2 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.348 0.594 . . . . 25.0 111.92 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 1.098 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -37.26 137.92 0.34 Allowed 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 122.53 1.157 . . . . 16.66 112.526 -178.193 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.768 HG23 ' CD1' ' A' ' 33' ' ' TYR . 18.3 pt -46.91 -6.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 CA-C-N 112.79 -2.005 . . . . 50.0 110.506 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.949 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -83.89 -31.19 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.402 -0.817 . . . . 16.66 110.641 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.707 ' CG ' ' O ' ' A' ' 14' ' ' LYS . 10.0 pttt 89.33 80.26 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.632 0.729 . . . . 25.0 111.531 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.499 HG22 ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -155.35 140.21 12.04 Favored Pre-proline 0 CA--C 1.539 0.53 0 O-C-N 121.903 -0.498 . . . . 50.0 111.195 -179.489 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.499 ' HD2' HG22 ' A' ' 15' ' ' THR . 21.1 Cg_endo -62.51 168.29 10.07 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 122.408 2.072 . . . . 50.0 111.488 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.693 ' HE1' ' HE1' ' A' ' 23' ' ' TYR . 1.5 t80 -73.83 133.26 43.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.58 0.705 . . . . 50.0 111.955 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.541 ' N ' ' CD1' ' A' ' 17' ' ' TYR . 48.8 t0 -140.39 144.21 36.09 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.418 -1.265 . . . . 50.0 108.681 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.75 9.28 1.52 Allowed 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.394 -0.523 . . . . 50.0 109.708 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 18' ' ' ASP . 54.7 p -96.21 -1.09 48.94 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.962 -0.755 . . . . 50.0 108.962 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.7 ' HG3' ' OH ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -130.51 139.69 50.5 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 114.744 -1.116 . . . . 50.0 108.968 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.479 ' CZ ' ' HA3' ' A' ' 35' ' ' GLY . 49.0 p90 -115.4 135.95 53.59 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 107.415 -1.328 . . . . 16.66 107.415 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.7 ' OH ' ' HG3' ' A' ' 21' ' ' LYS . 6.1 m-85 -111.4 174.04 6.06 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-O 124.173 1.94 . . . . 50.0 115.699 -175.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.076 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -143.11 125.21 12.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 CA-C-N 109.446 -3.524 . . . . 16.66 108.429 178.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.533 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -91.36 117.67 5.24 Favored Glycine 0 CA--C 1.533 1.182 0 N-CA-C 111.522 -0.631 . . . . 16.66 111.522 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 1.349 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 1.7 t -70.04 124.37 23.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.298 0.57 . . . . 16.66 109.975 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -44.66 -47.92 10.54 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.715 1.006 . . . . 25.0 113.715 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.434 HH11 ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -99.57 -31.7 11.47 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.396 -0.522 . . . . 50.0 111.094 -178.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.375 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -77.85 0.18 24.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.981 -1.118 . . . . 16.66 107.981 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.543 ' HA ' ' CZ ' ' B' ' 2' ' ' ARG . 5.1 pt20 30.67 23.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 112.85 -1.977 . . . . 16.66 115.593 177.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.743 HD22 ' H ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -135.17 170.29 16.14 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 119.457 1.026 . . . . 50.0 112.349 178.593 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.62 ' CZ3' ' NH1' ' B' ' 2' ' ' ARG . 0.0 OUTLIER -108.61 147.8 31.29 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 115.395 1.628 . . . . 16.66 115.395 -175.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.809 ' OH ' ' HB3' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -128.65 150.65 50.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.473 -0.785 . . . . 50.0 109.291 174.097 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.914 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 1.5 m80 -62.71 148.06 47.74 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 105.12 -2.178 . . . . 16.66 105.12 176.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' HA3' ' CZ ' ' A' ' 22' ' ' PHE . . . -48.38 -54.08 14.07 Favored Glycine 0 C--N 1.303 -1.263 0 C-N-CA 119.042 -1.551 . . . . 16.66 111.909 -178.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.425 ' H ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -76.42 -18.18 58.96 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.427 -0.509 . . . . 50.0 110.45 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 1.098 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -50.18 -33.08 17.98 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 119.145 -1.022 . . . . 16.66 108.532 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 m -119.06 20.8 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.148 -0.933 . . . . 16.66 110.839 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.4 46.37 93.12 Favored Glycine 0 N--CA 1.465 0.576 0 CA-C-N 115.635 -0.712 . . . . 16.66 111.58 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -102.66 167.61 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.292 0.567 . . . . 16.66 112.156 -178.54 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.722 HD22 ' N ' ' A' ' 41' ' ' LEU . 2.1 mm? -62.95 165.53 6.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.163 -0.926 . . . . 50.0 110.866 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.14 -54.79 5.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.601 -0.727 . . . . 25.0 109.866 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 45' ' ' ALA . 4.9 t -69.34 -15.1 63.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.938 -1.028 . . . . 50.0 109.741 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.864 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -42.39 -19.07 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.702 -0.681 . . . . 50.0 110.641 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.843 ' O ' HG21 ' B' ' 3' ' ' THR . . . -83.01 -41.97 18.07 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.473 -0.491 . . . . 25.0 111.226 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.549 ' C ' ' H ' ' A' ' 48' ' ' ILE . 69.5 tt0 -87.67 -53.82 4.58 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.834 1.05 . . . . 50.0 113.834 -178.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.864 HD11 ' HA ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -71.56 15.06 0.15 Allowed 'General case' 0 CA--C 1.492 -1.263 0 CA-C-O 121.064 0.459 . . . . 16.66 110.745 -179.072 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.804 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.4 OUTLIER -116.59 149.76 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.541 0 CA-C-N 115.472 -0.786 . . . . 25.0 112.94 -176.773 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.723 ' H ' HD13 ' A' ' 48' ' ' ILE . 58.6 t0 -154.07 -18.63 0.13 Allowed 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.406 -1.27 . . . . 50.0 110.224 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -119.26 26.19 9.62 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.883 -0.599 . . . . 50.0 110.173 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.542 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 35.9 t80 -67.16 146.94 53.72 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 119.934 -0.706 . . . . 16.66 110.064 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.542 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 3.2 t -135.99 152.24 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 115.399 -0.818 . . . . 50.0 110.211 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.375 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -67.23 163.2 48.18 Favored Pre-proline 0 CA--C 1.479 -1.779 0 CA-C-N 115.497 -0.774 . . . . 16.66 109.492 -178.793 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -82.61 -16.35 7.98 Favored 'Trans proline' 0 C--N 1.266 -3.813 0 C-N-CA 121.659 1.573 . . . . 16.66 108.535 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -87.43 -56.41 3.37 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 114.148 -1.387 . . . . 50.0 110.524 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 1.323 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER . . . . . 0 CA--C 1.531 0.245 0 C-N-CA 120.027 -0.669 . . . . 16.66 111.108 -179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.62 ' NH1' ' CZ3' ' A' ' 32' ' ' TRP . 25.9 mtm105 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.516 0.198 . . . . 0.0 110.498 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.843 HG21 ' O ' ' A' ' 45' ' ' ALA . 33.4 m . . . . . 0 C--N 1.326 -0.456 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.473 -179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.647 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 10.0 m-85 . . . . . 0 CA--C 1.53 0.18 0 N-CA-C 112.517 0.562 . . . . 25.0 112.517 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 22.5 t -35.5 136.16 0.23 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.97 0.89 . . . . 16.66 112.231 -178.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.76 HG23 ' CD2' ' A' ' 33' ' ' TYR . 22.2 pt -53.34 -7.13 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 113.805 -1.543 . . . . 50.0 107.669 177.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.993 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -87.53 -18.51 29.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.126 -1.852 . . . . 16.66 110.81 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 44.6 mtpt 77.76 79.13 0.07 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.445 -0.343 . . . . 25.0 111.923 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.593 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 24.8 p -148.3 150.7 35.27 Favored Pre-proline 0 N--CA 1.468 0.428 0 CA-C-O 120.699 0.285 . . . . 50.0 111.761 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.94 170.95 18.91 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 123.094 2.529 . . . . 50.0 111.896 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.647 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 1.0 OUTLIER -77.04 131.7 38.56 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 121.481 0.658 . . . . 50.0 110.731 -179.31 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.709 ' C ' ' H ' ' A' ' 20' ' ' SER . 78.6 m-20 -140.89 120.09 12.93 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 114.835 -1.075 . . . . 50.0 109.263 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.55 4.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.398 0.618 . . . . 50.0 109.373 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.709 ' H ' ' C ' ' A' ' 18' ' ' ASP . 62.0 m -98.21 -23.75 15.56 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 107.636 -1.246 . . . . 50.0 107.636 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.693 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -99.54 129.92 45.74 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 106.342 -1.725 . . . . 50.0 106.342 178.347 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 19.5 p90 -105.27 146.85 28.76 Favored 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 119.784 -0.767 . . . . 16.66 109.433 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.538 ' CE1' ' CE1' ' A' ' 17' ' ' TYR . 75.9 m-85 -124.27 171.95 9.47 Favored 'General case' 0 N--CA 1.433 -1.297 0 N-CA-C 116.762 2.134 . . . . 50.0 116.762 -174.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.984 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.15 129.22 9.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 109.168 -3.651 . . . . 16.66 106.333 177.034 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -95.46 124.25 7.93 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.587 -0.816 . . . . 16.66 113.972 -177.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 1.483 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.6 OUTLIER -48.94 113.36 0.77 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 107.782 -1.192 . . . . 16.66 107.782 176.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.514 ' CG ' ' O ' ' A' ' 51' ' ' TYR . 88.6 m-20 -62.97 -38.4 90.96 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 121.746 0.784 . . . . 25.0 109.083 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.9 ttm-85 -97.18 -36.73 10.35 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.291 -1.322 . . . . 50.0 110.875 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.309 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -79.61 -28.24 40.98 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.032 -0.667 . . . . 16.66 110.516 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.797 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 73.56 23.55 2.42 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.343 0.868 . . . . 16.66 113.343 178.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.5 ' OD1' ' OH ' ' A' ' 33' ' ' TYR . 4.6 p30 -134.84 171.36 14.5 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 121.53 -0.731 . . . . 50.0 112.449 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.48 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -118.3 148.47 42.42 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 116.754 2.131 . . . . 16.66 116.754 -174.228 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.76 ' CD2' HG23 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -140.22 162.44 35.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.118 -1.401 . . . . 50.0 109.66 174.162 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.693 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -72.73 138.61 46.66 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 105.28 -2.119 . . . . 16.66 105.28 176.331 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.537 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.09 -45.2 4.97 Favored Glycine 0 C--N 1.307 -1.057 0 C-N-CA 119.23 -1.462 . . . . 16.66 111.642 -177.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.427 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.9 OUTLIER -79.12 -19.49 50.99 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.312 -0.555 . . . . 50.0 109.772 179.34 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.993 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.4 t -51.42 -27.77 11.08 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 108.463 -0.94 . . . . 16.66 108.463 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.8 m -119.98 14.27 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 114.9 -1.045 . . . . 16.66 111.037 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 69.72 46.57 53.25 Favored Glycine 0 N--CA 1.462 0.405 0 CA-C-N 115.982 -0.554 . . . . 16.66 112.12 178.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.537 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -115.71 166.12 10.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 110.263 -0.273 . . . . 16.66 110.263 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.789 ' N ' ' OE2' ' A' ' 44' ' ' GLU . 9.1 mp -61.25 164.38 5.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.277 0.561 . . . . 50.0 109.976 178.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.51 -56.45 4.42 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.505 -0.771 . . . . 25.0 111.126 -178.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.529 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 68.3 m -70.08 -15.43 62.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.973 -0.751 . . . . 50.0 108.973 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.793 ' HA ' HD11 ' A' ' 47' ' ' LEU . 2.4 tt0 -43.27 -18.84 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.329 -0.851 . . . . 50.0 111.361 -178.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.759 ' O ' HG21 ' B' ' 3' ' ' THR . . . -70.78 -46.28 63.2 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 120.319 -0.552 . . . . 25.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -87.67 -45.38 10.44 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.142 1.164 . . . . 50.0 114.142 -178.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.053 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -55.34 -24.48 29.46 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.086 0.402 . . . . 16.66 112.086 -177.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.053 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -85.49 171.97 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.366 0.603 . . . . 25.0 109.452 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.447 ' OD2' ' O ' ' A' ' 49' ' ' ASP . 51.0 t0 -158.88 15.97 0.18 Allowed 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.976 -1.011 . . . . 50.0 109.688 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -160.41 36.84 0.17 Allowed 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 107.254 -1.387 . . . . 50.0 107.254 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.68 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 19.9 t80 -67.09 146.79 53.92 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 114.981 -1.009 . . . . 16.66 111.155 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.68 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 13.0 t -137.31 159.21 35.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 113.624 -1.625 . . . . 50.0 108.457 177.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.483 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.9 p -80.35 159.44 69.99 Favored Pre-proline 0 N--CA 1.413 -2.305 0 CA-C-O 121.546 0.689 . . . . 16.66 109.904 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 20.1 Cg_endo -80.37 -25.04 4.97 Favored 'Trans proline' 0 C--N 1.275 -3.312 0 C-N-CA 121.974 1.782 . . . . 16.66 110.241 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.59 -34.44 72.17 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.817 -1.179 . . . . 50.0 107.817 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 1.18 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-N 114.919 -1.037 . . . . 16.66 109.93 179.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' A' ' 26' ' ' CYS . 11.7 ttm105 . . . . . 0 C--O 1.231 0.085 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.759 HG21 ' O ' ' A' ' 45' ' ' ALA . 17.3 m . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.197 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.495 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 16.6 m-85 . . . . . 0 CA--C 1.531 0.247 0 CA-C-O 121.659 0.742 . . . . 25.0 111.067 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.992 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -32.83 122.49 0.36 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.535 -1.211 . . . . 16.66 112.176 -179.324 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.75 HG23 ' CD1' ' A' ' 33' ' ' TYR . 22.6 pt -47.49 -6.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 113.15 -1.841 . . . . 50.0 109.692 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.949 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -86.67 -3.37 59.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.49 -1.232 . . . . 16.66 110.045 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 11' ' ' CYS . 44.5 mtpt 67.56 72.69 0.33 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.797 -0.638 . . . . 25.0 112.053 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.5 p -146.9 143.09 17.86 Favored Pre-proline 0 CA--C 1.533 0.322 0 C-N-CA 121.008 -0.277 . . . . 50.0 111.273 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.05 169.1 23.21 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.995 2.464 . . . . 50.0 111.499 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.49 ' CE1' ' CE1' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -65.77 129.53 40.09 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 121.45 0.643 . . . . 50.0 110.508 -179.47 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.708 ' C ' ' H ' ' A' ' 20' ' ' SER . 89.6 m-20 -140.48 119.03 12.27 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 114.806 -1.088 . . . . 50.0 108.959 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -56.2 3.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.376 -0.602 . . . . 50.0 109.376 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.708 ' H ' ' C ' ' A' ' 18' ' ' ASP . 66.9 m -95.47 -25.25 16.31 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 107.962 -1.125 . . . . 50.0 107.962 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.694 ' HZ3' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -99.1 131.49 45.1 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.012 -1.449 . . . . 50.0 107.464 178.523 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 52.4 p90 -108.14 135.45 49.47 Favored 'General case' 0 CA--C 1.498 -1.05 0 C-N-CA 119.53 -0.868 . . . . 16.66 110.033 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.518 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 72.2 m-85 -110.13 173.16 6.45 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 117.268 2.321 . . . . 50.0 117.268 -174.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.981 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -148.24 128.66 4.81 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 CA-C-N 109.202 -3.635 . . . . 16.66 106.602 177.375 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.521 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -89.57 125.62 7.91 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 120.913 -0.66 . . . . 16.66 114.354 -177.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 1.468 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -53.04 110.28 0.51 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.197 -1.409 . . . . 16.66 107.197 176.224 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.624 ' H ' ' HA ' ' A' ' 52' ' ' VAL . 60.3 t0 -60.83 -37.8 83.26 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.54 0.686 . . . . 25.0 109.482 -178.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.438 ' HG3' ' HB3' ' A' ' 56' ' ' CYS . 0.2 OUTLIER -97.77 -38.47 9.46 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 114.677 -1.147 . . . . 50.0 110.466 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.305 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.54 -28.24 51.88 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.041 -0.664 . . . . 16.66 110.406 -179.496 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.762 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER 75.56 21.39 1.75 Allowed 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.098 0.777 . . . . 16.66 113.098 178.773 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.601 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 25.8 p30 -135.14 172.07 13.53 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 118.76 0.709 . . . . 50.0 112.316 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.495 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -118.67 149.18 41.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 116.41 2.004 . . . . 16.66 116.41 -174.417 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.75 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -136.77 161.84 34.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.66 -1.154 . . . . 50.0 108.319 173.178 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.892 ' HD1' ' HG ' ' A' ' 37' ' ' CYS . 22.5 p-80 -82.68 141.33 32.53 Favored 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 106.036 -1.839 . . . . 16.66 106.036 176.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.496 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -40.11 -49.61 3.55 Favored Glycine 0 C--N 1.304 -1.22 0 C-N-CA 119.983 -1.103 . . . . 16.66 113.691 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.661 ' N ' ' CD ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -74.37 -20.41 60.09 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 117.878 0.839 . . . . 50.0 109.414 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.992 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -51.17 -29.99 15.48 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.385 -0.825 . . . . 16.66 108.78 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.27 13.78 4.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.147 -0.933 . . . . 16.66 110.884 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.14 45.75 78.65 Favored Glycine 0 N--CA 1.461 0.308 0 CA-C-N 115.639 -0.709 . . . . 16.66 112.055 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.496 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -107.55 167.63 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.933 0.396 . . . . 16.66 110.854 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.612 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.7 mp -61.35 164.76 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.948 -0.569 . . . . 50.0 110.409 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.26 -55.69 5.06 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.575 -0.739 . . . . 25.0 110.151 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.621 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 59.7 m -69.35 -15.87 63.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.412 -0.813 . . . . 50.0 109.205 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.716 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -42.01 -20.26 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 115.336 -0.847 . . . . 50.0 110.977 -178.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.732 ' O ' HG21 ' B' ' 3' ' ' THR . . . -73.12 -47.77 41.35 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 120.419 -0.512 . . . . 25.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -88.17 -41.7 12.81 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.292 1.219 . . . . 50.0 114.292 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.046 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.2 pp -55.99 -25.89 46.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.011 0.374 . . . . 16.66 112.011 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.046 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.2 pp -85.87 172.22 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.424 0.63 . . . . 25.0 109.728 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' OD2' ' O ' ' A' ' 49' ' ' ASP . 49.5 t0 -159.59 10.82 0.12 Allowed 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.794 -1.093 . . . . 50.0 109.45 -178.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -158.77 40.85 0.24 Allowed 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 106.525 -1.657 . . . . 50.0 106.525 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.689 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 20.2 t80 -65.95 145.25 56.13 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 114.43 -1.259 . . . . 16.66 111.578 -178.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.689 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 12.9 t -133.92 159.46 42.39 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 113.394 -1.73 . . . . 50.0 108.427 177.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.468 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 6.3 p -81.6 159.38 66.87 Favored Pre-proline 0 N--CA 1.414 -2.253 0 CA-C-O 121.549 0.69 . . . . 16.66 110.138 -179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.512 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 26.5 Cg_endo -81.68 -24.05 4.46 Favored 'Trans proline' 0 C--N 1.278 -3.162 0 C-N-CA 122.01 1.807 . . . . 16.66 109.926 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 55' ' ' GLN . 1.9 tm0? -71.11 -36.12 72.04 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.343 -1.354 . . . . 50.0 107.343 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.371 0 CA-C-N 114.726 -1.125 . . . . 16.66 109.388 178.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.715 HH21 ' N ' ' A' ' 26' ' ' CYS . 18.1 mtm105 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.739 0.304 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.732 HG21 ' O ' ' A' ' 45' ' ' ALA . 6.0 m . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.163 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.561 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 16.2 m-85 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.998 0.427 . . . . 25.0 112.021 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 9.9 t -35.4 134.17 0.32 Allowed 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 122.026 0.917 . . . . 16.66 112.182 -178.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.788 HG23 ' CD2' ' A' ' 33' ' ' TYR . 19.3 pt -52.14 -7.28 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 113.803 -1.544 . . . . 50.0 108.382 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.984 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -87.1 -8.64 56.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.764 -1.562 . . . . 16.66 110.613 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 57.1 mttp 71.49 78.67 0.17 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.171 -0.468 . . . . 25.0 112.1 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.6 149.69 21.73 Favored Pre-proline 0 N--CA 1.468 0.441 0 CA-C-O 120.778 0.323 . . . . 50.0 111.267 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.46 177.38 8.44 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 123.057 2.505 . . . . 50.0 112.348 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.557 ' CE1' ' CE1' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -81.05 130.4 35.0 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.367 0.603 . . . . 50.0 110.372 -179.544 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.709 ' C ' ' H ' ' A' ' 20' ' ' SER . 79.7 m-20 -140.38 121.88 15.12 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.046 -0.979 . . . . 50.0 109.12 178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.78 6.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.272 0.558 . . . . 50.0 109.552 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.709 ' H ' ' C ' ' A' ' 18' ' ' ASP . 17.8 m -101.62 -9.5 20.88 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 107.404 -1.332 . . . . 50.0 107.404 178.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.649 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 17.2 tptt -119.58 130.65 55.24 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 113.165 -1.834 . . . . 50.0 106.176 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 45' ' ' ALA . 51.9 p90 -108.3 145.3 34.6 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 119.446 -0.902 . . . . 16.66 110.046 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 41.1 m-85 -120.63 171.05 8.85 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 116.818 2.155 . . . . 50.0 116.818 -175.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.007 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -149.13 123.76 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 CA-C-N 108.827 -3.806 . . . . 16.66 106.152 176.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.52 ' C ' HH21 ' B' ' 2' ' ' ARG . . . -89.29 128.06 8.99 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 120.592 -0.813 . . . . 16.66 114.589 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 1.469 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -47.51 108.38 0.15 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 106.956 -1.498 . . . . 16.66 106.956 176.145 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -64.37 -33.66 76.36 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.009 0.909 . . . . 25.0 108.621 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.7 ttm-85 -99.59 -33.07 10.78 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 113.76 -1.564 . . . . 50.0 111.217 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.329 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -86.88 -29.05 22.46 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 119.902 -0.719 . . . . 16.66 110.79 -179.22 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.803 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.3 OUTLIER 85.45 15.47 0.15 Allowed 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.454 1.279 . . . . 16.66 114.454 178.021 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.852 HD22 ' H ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -135.57 170.97 15.13 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 120.057 1.299 . . . . 50.0 112.227 178.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.714 ' CH2' ' NH1' ' B' ' 2' ' ' ARG . 0.0 OUTLIER -116.01 151.41 35.53 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 116.36 1.985 . . . . 16.66 116.36 -175.109 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.788 ' CD2' HG23 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -140.49 163.91 31.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.612 -1.176 . . . . 50.0 108.636 173.284 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.727 ' O ' ' N ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -79.51 132.77 36.42 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 107.412 -1.329 . . . . 16.66 107.412 177.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.548 ' HA2' HG13 ' A' ' 38' ' ' VAL . . . -40.75 -37.68 1.38 Allowed Glycine 0 C--N 1.304 -1.214 0 C-N-CA 119.842 -1.17 . . . . 16.66 110.523 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.627 ' HD3' ' N ' ' A' ' 36' ' ' ARG . 2.2 mmt85 -70.67 -33.04 70.51 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.332 -0.988 . . . . 50.0 108.332 178.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 3.0 t -68.59 -49.36 59.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.974 -1.467 . . . . 16.66 110.652 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -80.12 -12.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.299 -1.319 . . . . 16.66 110.051 -179.516 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.94 45.85 8.1 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.547 -0.621 . . . . 16.66 111.547 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.499 HG23 ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -126.48 171.03 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.24 0.543 . . . . 16.66 112.176 -178.724 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.499 ' N ' HG23 ' A' ' 40' ' ' ILE . 18.4 mt -55.06 166.89 0.47 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.275 -0.875 . . . . 50.0 111.53 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -77.83 -54.0 6.84 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.088 -1.415 . . . . 25.0 110.341 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.55 ' O ' ' N ' ' A' ' 45' ' ' ALA . 23.0 m -72.41 -16.06 61.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.983 -1.008 . . . . 50.0 110.113 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.902 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.6 mm-40 -42.89 -17.61 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.032 -0.531 . . . . 50.0 110.48 179.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.843 ' O ' HG21 ' B' ' 3' ' ' THR . . . -81.05 -46.9 14.32 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.84 -0.618 . . . . 25.0 111.6 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.58 ' C ' ' H ' ' A' ' 48' ' ' ILE . 48.1 tp10 -87.15 -53.22 4.98 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.782 1.031 . . . . 50.0 113.782 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.902 HD11 ' HA ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -70.33 14.98 0.1 Allowed 'General case' 0 CA--C 1.491 -1.306 0 CA-C-O 121.068 0.461 . . . . 16.66 110.738 -178.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.791 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -109.74 148.2 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.573 0 CA-C-N 115.341 -0.845 . . . . 25.0 113.21 -176.048 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.761 ' H ' HD13 ' A' ' 48' ' ' ILE . 63.5 t0 -162.99 39.0 0.1 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.699 -1.137 . . . . 50.0 110.775 -178.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.407 ' H ' HD12 ' A' ' 48' ' ' ILE . 23.3 pt-20 -177.21 15.62 0.0 OUTLIER 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.011 -0.737 . . . . 50.0 109.011 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.618 ' OH ' ' HA ' ' A' ' 53' ' ' CYS . 1.6 t80 -69.22 148.15 50.26 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.541 -0.754 . . . . 16.66 111.602 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.602 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 20.6 t -132.68 159.53 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 114.443 -1.253 . . . . 50.0 108.537 177.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.469 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.7 p -76.75 156.91 82.55 Favored Pre-proline 0 N--CA 1.416 -2.162 0 CA-C-O 121.556 0.694 . . . . 16.66 110.241 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.47 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 47.0 Cg_endo -76.67 -26.27 8.51 Favored 'Trans proline' 0 C--N 1.273 -3.402 0 C-N-CA 121.779 1.653 . . . . 16.66 110.494 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -70.07 -34.92 73.78 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.208 -1.034 . . . . 50.0 108.208 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 1.17 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.368 0 CA-C-N 115.026 -0.988 . . . . 16.66 110.148 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.752 HH22 ' N ' ' A' ' 31' ' ' ASN . 25.0 ttp85 . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 121.211 0.529 . . . . 0.0 109.661 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.843 HG21 ' O ' ' A' ' 45' ' ' ALA . 63.4 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.167 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.582 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 9.4 m-85 . . . . . 0 CA--C 1.535 0.403 0 N-CA-C 113.427 0.899 . . . . 25.0 113.427 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.981 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 18.2 t -30.94 116.8 0.16 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.384 -1.28 . . . . 16.66 113.307 -177.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.715 HG23 ' CD1' ' A' ' 33' ' ' TYR . 12.5 pt -51.99 -11.48 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 112.958 -1.928 . . . . 50.0 108.937 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.989 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -79.88 6.32 11.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.878 -1.51 . . . . 16.66 110.772 -178.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? 69.18 54.53 0.43 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.123 -0.489 . . . . 25.0 111.786 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 p -146.21 125.27 6.57 Favored Pre-proline 0 CA--C 1.536 0.437 0 C-N-CA 120.538 -0.465 . . . . 50.0 111.511 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -71.46 -179.3 3.55 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.83 2.353 . . . . 50.0 111.313 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.557 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -64.48 129.46 39.94 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.709 0.766 . . . . 50.0 111.357 -178.747 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.757 ' C ' ' H ' ' A' ' 20' ' ' SER . 86.7 m-20 -141.29 116.51 10.01 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.104 -1.407 . . . . 50.0 107.842 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.11 6.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.251 -0.579 . . . . 50.0 109.487 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.757 ' H ' ' C ' ' A' ' 18' ' ' ASP . 19.0 m -103.48 -7.2 21.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.874 -1.158 . . . . 50.0 107.874 178.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HG3' ' CB ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -119.92 134.16 55.33 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 113.828 -1.533 . . . . 50.0 107.674 179.588 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.796 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 29.2 p90 -106.74 152.8 23.33 Favored 'General case' 0 CA--C 1.497 -1.077 0 C-N-CA 119.786 -0.765 . . . . 16.66 109.479 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.504 ' CE1' ' CE1' ' A' ' 17' ' ' TYR . 51.4 m-85 -129.35 175.72 8.52 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 116.351 1.982 . . . . 50.0 116.351 -175.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.982 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -148.18 134.97 13.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 CA-C-N 109.735 -3.393 . . . . 16.66 106.632 177.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.96 128.9 9.67 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 120.88 -0.676 . . . . 16.66 113.974 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 1.326 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 1.8 t -55.81 108.14 0.42 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.059 -1.089 . . . . 16.66 108.059 177.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.573 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 57.6 t0 -56.65 -35.46 68.39 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 120.992 0.425 . . . . 25.0 110.508 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.98 -31.94 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 50.0 110.69 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.326 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -81.7 -28.21 33.59 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 120.187 -0.605 . . . . 16.66 110.031 -179.525 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.728 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 74.19 20.5 2.68 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.484 0.92 . . . . 16.66 113.484 178.297 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.623 ' ND2' ' OH ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -134.37 171.94 13.59 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.957 -0.697 . . . . 50.0 111.338 178.658 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.582 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -118.78 153.6 34.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 116.184 1.92 . . . . 16.66 116.184 -174.718 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.758 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -140.24 158.44 44.03 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 113.364 -1.744 . . . . 50.0 106.385 172.803 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.806 ' ND1' ' SG ' ' A' ' 37' ' ' CYS . 18.1 p-80 -79.57 148.07 31.88 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 116.505 -2.078 . . . . 16.66 107.364 177.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.568 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -39.06 -61.74 1.35 Allowed Glycine 0 C--N 1.307 -1.053 0 C-N-CA 120.086 -1.055 . . . . 16.66 113.649 -173.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.543 ' HD2' ' NE2' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -68.77 -17.65 64.07 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 119.715 -0.794 . . . . 50.0 110.082 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.989 ' SG ' ' CB ' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -49.47 -33.68 14.92 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.573 -0.899 . . . . 16.66 108.573 179.62 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.1 m -117.29 16.52 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.935 -1.03 . . . . 16.66 110.506 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 70.84 46.2 47.06 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.321 -0.854 . . . . 16.66 112.542 178.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.568 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -114.67 167.94 6.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.12 0.486 . . . . 16.66 110.767 -179.839 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.527 ' N ' HG23 ' A' ' 40' ' ' ILE . 44.2 mt -61.85 164.94 5.78 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.612 -0.722 . . . . 50.0 110.128 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.46 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -78.61 -55.69 5.0 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.531 -0.759 . . . . 25.0 110.634 -178.745 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.621 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 70.1 m -69.56 -15.27 63.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.507 -0.77 . . . . 50.0 109.072 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.775 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -41.55 -19.94 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 115.327 -0.851 . . . . 50.0 111.004 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.718 ' O ' HG21 ' B' ' 3' ' ' THR . . . -73.8 -47.56 37.82 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 120.59 -0.444 . . . . 25.0 111.234 -179.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -86.48 -43.99 12.33 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.774 1.027 . . . . 50.0 113.774 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.059 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.1 pp -55.82 -24.85 38.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.096 0.406 . . . . 16.66 112.096 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.059 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -86.16 172.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 121.71 0.766 . . . . 25.0 109.981 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.409 ' H ' ' H ' ' A' ' 50' ' ' GLU . 22.4 t70 -158.67 8.25 0.13 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.505 -1.225 . . . . 50.0 109.274 -178.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.409 ' H ' ' H ' ' A' ' 49' ' ' ASP . 30.3 mt-10 -153.69 36.9 0.45 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.018 -1.446 . . . . 50.0 107.244 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.669 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 23.6 t80 -66.18 146.3 54.79 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 122.026 0.917 . . . . 16.66 110.872 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.669 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 21.2 t -137.27 158.8 35.76 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-N 113.687 -1.597 . . . . 50.0 109.204 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.002 ' SG ' ' CB ' ' A' ' 56' ' ' CYS . 4.5 p -77.13 161.44 73.17 Favored Pre-proline 0 N--CA 1.417 -2.108 0 CA-C-O 121.37 0.605 . . . . 16.66 109.45 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 16.2 Cg_endo -81.76 -28.46 2.14 Favored 'Trans proline' 0 C--N 1.278 -3.14 0 C-N-CA 121.954 1.77 . . . . 16.66 111.088 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -71.98 -31.65 66.48 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.184 -1.413 . . . . 50.0 107.184 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 1.19 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 7.6 m . . . . . 0 N--CA 1.451 -0.42 0 CA-C-N 114.18 -1.373 . . . . 16.66 110.325 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.573 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 32.7 mtm180 . . . . . 0 C--O 1.23 0.067 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.718 HG21 ' O ' ' A' ' 45' ' ' ALA . 28.2 m . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.61 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 10.0 m-85 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 120.968 0.414 . . . . 25.0 110.634 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 36.6 t -36.85 133.48 0.58 Allowed 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 122.005 0.907 . . . . 16.66 112.379 -179.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.749 HG23 ' CD1' ' A' ' 33' ' ' TYR . 12.5 pt -55.57 -7.08 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 113.62 -1.627 . . . . 50.0 108.101 177.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.953 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -84.24 -12.28 55.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 113.612 -1.631 . . . . 16.66 111.601 -179.053 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 34.2 mtmt 78.29 78.61 0.07 Allowed 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 111.948 0.351 . . . . 25.0 111.948 179.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.52 141.62 7.98 Favored Pre-proline 0 CA--C 1.535 0.371 0 C-N-CA 120.903 -0.319 . . . . 50.0 110.895 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.26 -165.92 0.27 Allowed 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.764 2.309 . . . . 50.0 111.906 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.61 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -86.08 130.93 34.38 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 121.716 0.769 . . . . 50.0 110.969 -179.191 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.74 ' C ' ' H ' ' A' ' 20' ' ' SER . 90.6 m-20 -140.76 116.84 10.53 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 114.415 -1.266 . . . . 50.0 108.247 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -57.43 8.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.291 0.567 . . . . 50.0 109.692 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.74 ' H ' ' C ' ' A' ' 18' ' ' ASP . 31.7 m -101.68 -12.28 18.52 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 107.452 -1.314 . . . . 50.0 107.452 178.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.633 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 14.0 tptt -115.26 131.08 57.04 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 113.575 -1.648 . . . . 50.0 106.612 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.762 ' CZ ' ' NE2' ' A' ' 42' ' ' GLN . 46.1 p90 -109.55 142.8 40.1 Favored 'General case' 0 CA--C 1.494 -1.21 0 C-N-CA 119.778 -0.769 . . . . 16.66 109.567 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.556 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 38.6 m-85 -119.35 173.81 6.74 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 117.024 2.231 . . . . 50.0 117.024 -174.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.01 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -145.02 134.49 18.32 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 CA-C-N 108.989 -3.732 . . . . 16.66 106.862 177.529 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.94 123.96 7.78 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 120.417 -0.897 . . . . 16.66 113.496 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 1.326 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 1.8 t -48.09 118.24 2.29 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.504 -0.924 . . . . 16.66 108.504 177.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.712 ' HB2' HG22 ' A' ' 52' ' ' VAL . 51.8 t0 -53.1 -37.03 61.36 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.528 -0.469 . . . . 25.0 110.429 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.61 -37.95 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.807 -0.633 . . . . 50.0 110.2 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.326 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -72.53 0.44 10.39 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.391 0.615 . . . . 16.66 109.543 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.551 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 4.6 pt20 31.43 33.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.784 -1.098 . . . . 16.66 112.906 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.543 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 22.0 p30 -134.39 171.2 14.61 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 120.467 -0.493 . . . . 50.0 111.021 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.506 ' HD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -121.8 151.65 40.37 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 116.993 2.22 . . . . 16.66 116.993 -174.045 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.749 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -141.12 166.03 25.92 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 113.705 -1.589 . . . . 50.0 109.454 173.639 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.633 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -73.67 141.33 46.46 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 106.06 -1.83 . . . . 16.66 106.06 176.421 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.504 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.33 -46.64 5.52 Favored Glycine 0 C--N 1.305 -1.153 0 C-N-CA 119.595 -1.288 . . . . 16.66 111.379 -178.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.502 ' H ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -78.8 -19.68 51.58 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.189 -0.604 . . . . 50.0 109.765 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 4.0 t -51.68 -28.21 14.02 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 119.588 -0.845 . . . . 16.66 108.858 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.3 m -116.72 9.92 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.071 -0.968 . . . . 16.66 110.684 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 75.21 46.08 17.2 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.676 -0.693 . . . . 16.66 112.512 178.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.543 ' CG2' ' HG2' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -115.77 168.24 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.169 0.509 . . . . 16.66 110.83 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.531 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 66.0 mt -63.38 162.33 12.56 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.581 -0.736 . . . . 50.0 111.252 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.762 ' NE2' ' CZ ' ' A' ' 22' ' ' PHE . 1.2 tp60 -80.39 -55.45 4.88 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.709 0.766 . . . . 25.0 108.933 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.575 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 49.0 m -57.26 -13.99 3.85 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 114.75 -1.114 . . . . 50.0 108.467 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.946 ' O ' HG13 ' A' ' 48' ' ' ILE . 2.5 pp20? -40.82 -52.22 3.05 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 114.934 -1.03 . . . . 50.0 110.409 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.77 ' N ' ' CD ' ' A' ' 44' ' ' GLU . . . -54.86 -36.3 64.95 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 114.705 -1.134 . . . . 25.0 111.43 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' SER . 95.9 mt-10 -89.54 -7.85 54.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.449 1.278 . . . . 50.0 114.449 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.77 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.7 pp -116.28 -20.98 9.54 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 115.122 1.527 . . . . 16.66 115.122 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.946 HG13 ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -86.48 171.08 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-O 121.496 0.665 . . . . 25.0 110.261 -179.324 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -167.91 18.68 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.848 -1.069 . . . . 50.0 109.029 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -160.56 29.07 0.16 Allowed 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 106.75 -1.574 . . . . 50.0 106.75 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.658 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 3.6 t80 -66.83 147.93 52.61 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 114.622 -1.172 . . . . 16.66 110.179 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.712 HG22 ' HB2' ' A' ' 27' ' ' ASP . 21.3 t -134.11 159.52 42.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 CA-C-N 113.957 -1.474 . . . . 50.0 109.098 178.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.018 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 6.3 p -79.83 158.36 73.01 Favored Pre-proline 0 N--CA 1.411 -2.386 0 N-CA-C 109.225 -0.657 . . . . 16.66 109.225 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.516 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 32.8 Cg_endo -77.17 -30.61 4.18 Favored 'Trans proline' 0 C--N 1.272 -3.474 0 C-N-CA 121.766 1.644 . . . . 16.66 110.642 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -70.17 -31.52 69.04 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.718 -0.845 . . . . 50.0 108.718 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 1.199 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-N 115.565 -0.743 . . . . 16.66 110.412 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.583 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 3.4 mtm105 . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 120.676 0.274 . . . . 0.0 110.513 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 16.2 m . . . . . 0 C--N 1.33 -0.266 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.277 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.429 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 25.1 m-85 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.889 0.376 . . . . 25.0 110.789 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 1.231 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -36.42 120.52 0.67 Allowed 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.316 1.055 . . . . 16.66 110.597 -179.266 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.67 HG23 ' CD1' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -43.92 -5.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 CA-C-N 112.767 -2.015 . . . . 50.0 110.691 -178.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.998 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -80.88 -22.0 40.18 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.995 -0.548 . . . . 16.66 109.818 177.445 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.719 ' CG ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 89.81 80.2 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.842 1.053 . . . . 25.0 113.842 177.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.595 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 1.1 p -156.62 144.96 14.45 Favored Pre-proline 0 N--CA 1.472 0.64 0 CA-C-N 116.229 -0.441 . . . . 50.0 110.563 177.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.35 -173.82 0.88 Allowed 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.784 2.323 . . . . 50.0 111.898 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.484 ' CE1' ' CE1' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -82.92 129.22 34.99 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.55 0.69 . . . . 50.0 111.098 -179.315 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.732 ' C ' ' H ' ' A' ' 20' ' ' SER . 88.5 m-20 -140.98 117.33 10.73 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.694 -1.139 . . . . 50.0 109.269 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -57.05 4.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.072 -0.714 . . . . 50.0 109.072 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.732 ' H ' ' C ' ' A' ' 18' ' ' ASP . 69.4 m -98.55 -4.03 35.08 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 107.835 -1.172 . . . . 50.0 107.835 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.834 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 1.2 tptm -124.28 130.89 53.3 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 113.702 -1.59 . . . . 50.0 107.202 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -111.04 132.99 53.77 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-O 121.813 0.816 . . . . 16.66 110.888 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 7.1 m-85 -110.22 176.54 5.01 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 124.369 2.033 . . . . 50.0 115.74 -176.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.021 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -149.55 129.76 4.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 109.092 -3.685 . . . . 16.66 106.866 178.56 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.5 126.58 8.07 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 120.885 -0.674 . . . . 16.66 113.671 -177.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 1.351 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 2.2 t -54.39 110.51 0.63 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.777 0.831 . . . . 16.66 109.858 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.536 ' OD2' ' NH1' ' A' ' 28' ' ' ARG . 65.7 t0 -48.98 -43.28 39.88 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 120.602 -0.439 . . . . 25.0 111.993 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.825 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -113.46 -15.95 12.51 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 119.89 -0.724 . . . . 50.0 110.311 178.69 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.351 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -80.85 -28.31 36.15 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 118.724 -1.191 . . . . 16.66 108.023 178.109 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.678 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.6 OUTLIER 80.79 8.07 1.25 Allowed 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 115.83 1.789 . . . . 16.66 115.83 176.115 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -135.86 173.23 11.94 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 120.799 1.636 . . . . 50.0 114.517 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.413 ' HA ' ' O ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -101.6 147.03 26.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 116.851 2.167 . . . . 16.66 116.851 -174.793 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.721 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -139.21 154.77 48.08 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.026 -1.443 . . . . 50.0 108.684 171.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.9 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -73.97 135.93 43.21 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 105.826 -1.916 . . . . 16.66 105.826 176.163 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.518 ' HA3' HG22 ' A' ' 40' ' ' ILE . . . -42.85 -59.01 3.42 Favored Glycine 0 C--N 1.305 -1.171 0 C-N-CA 119.686 -1.245 . . . . 16.66 112.299 -177.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -64.09 -33.07 74.92 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.401 0.62 . . . . 50.0 110.048 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 1.231 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 48.1 t -55.57 -16.28 3.8 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.024 -0.989 . . . . 16.66 109.509 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.572 HG12 ' CD1' ' A' ' 12' ' ' ILE . 1.3 m -129.38 8.68 2.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 115.73 -0.668 . . . . 16.66 110.367 177.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.03 48.11 10.33 Favored Glycine 0 C--N 1.337 0.605 0 CA-C-N 115.968 -0.56 . . . . 16.66 113.19 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.518 HG22 ' HA3' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -113.22 167.11 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 120.032 -0.667 . . . . 16.66 111.107 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.563 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.3 mp -62.1 165.33 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.765 -0.652 . . . . 50.0 110.152 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.424 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -77.9 -55.2 5.5 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.741 -0.663 . . . . 25.0 110.393 -178.783 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.564 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 53.3 m -70.85 -15.33 62.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.599 -0.728 . . . . 50.0 109.335 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.746 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -41.62 -21.09 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.229 -0.896 . . . . 50.0 111.178 -178.575 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.716 ' O ' HG21 ' B' ' 3' ' ' THR . . . -67.08 -53.58 29.66 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 120.419 -0.512 . . . . 25.0 111.088 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -86.84 -40.02 15.31 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.665 1.357 . . . . 50.0 114.665 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.027 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -56.32 -24.68 45.24 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.272 0.842 . . . . 16.66 113.272 -176.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.027 ' N ' HD12 ' A' ' 47' ' ' LEU . 1.4 pp -85.42 171.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.856 0.836 . . . . 25.0 110.394 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 49' ' ' ASP . 33.5 t0 -164.15 13.83 0.05 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.156 -1.384 . . . . 50.0 108.532 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -159.69 35.23 0.19 Allowed 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 113.467 -1.697 . . . . 50.0 106.426 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.751 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 14.8 t80 -66.37 148.57 51.68 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 114.851 -1.068 . . . . 16.66 110.842 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.751 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 21.3 t -137.53 158.88 34.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 113.482 -1.69 . . . . 50.0 109.661 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.03 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 5.3 p -76.72 160.86 75.95 Favored Pre-proline 0 N--CA 1.411 -2.394 0 N-CA-C 109.197 -0.668 . . . . 16.66 109.197 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.539 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 33.5 Cg_endo -78.63 -32.91 1.91 Allowed 'Trans proline' 0 C--N 1.272 -3.468 0 C-N-CA 121.44 1.427 . . . . 16.66 110.191 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -68.11 -36.99 80.64 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.144 -0.687 . . . . 50.0 109.144 176.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 1.129 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.339 0.139 0 N-CA-C 109.859 -0.423 . . . . 16.66 109.859 179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.694 ' NH2' ' O ' ' A' ' 26' ' ' CYS . 61.8 mtm-85 . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 120.52 0.2 . . . . 0.0 111.41 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.716 HG21 ' O ' ' A' ' 45' ' ' ALA . 26.5 m . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.649 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 6.1 m-85 . . . . . 0 N--CA 1.449 -0.514 0 CA-C-O 121.948 0.88 . . . . 25.0 109.836 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 1.079 ' SG ' ' CB ' ' A' ' 13' ' ' CYS . 20.0 t -36.86 125.54 0.89 Allowed 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 113.677 -1.601 . . . . 16.66 112.169 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.783 HG23 ' CD1' ' A' ' 33' ' ' TYR . 19.6 pt -53.64 -6.81 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 N-CA-C 107.183 -1.414 . . . . 50.0 107.183 178.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.079 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -88.0 -16.41 33.78 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 113.474 -1.694 . . . . 16.66 110.991 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 61.1 mttm 80.73 79.44 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.762 0.653 . . . . 25.0 112.762 178.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -150.86 145.66 18.48 Favored Pre-proline 0 CA--C 1.538 0.497 0 C-N-CA 120.736 -0.385 . . . . 50.0 111.581 179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.82 170.68 19.49 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 123.178 2.585 . . . . 50.0 111.654 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.649 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -74.16 129.44 37.83 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 121.67 0.748 . . . . 50.0 111.35 -178.684 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.722 ' C ' ' H ' ' A' ' 20' ' ' SER . 77.3 m-20 -140.69 119.77 12.81 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.377 -1.283 . . . . 50.0 109.073 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.67 3.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.283 0.563 . . . . 50.0 109.541 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.722 ' H ' ' C ' ' A' ' 18' ' ' ASP . 55.9 m -95.27 -28.07 15.18 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 107.998 -1.112 . . . . 50.0 107.998 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.644 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -90.18 131.6 35.93 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.129 -1.396 . . . . 50.0 107.84 178.193 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CZ ' ' NE2' ' A' ' 42' ' ' GLN . 18.0 p90 -106.11 138.16 42.78 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.932 -0.766 . . . . 16.66 108.932 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.644 ' CZ ' ' HB3' ' A' ' 21' ' ' LYS . 88.6 m-85 -116.99 169.66 9.24 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 117.142 2.275 . . . . 50.0 117.142 -174.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.026 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -143.22 128.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 CA-C-N 109.261 -3.609 . . . . 16.66 106.353 176.208 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.584 ' H ' ' HA ' ' B' ' 3' ' ' THR . . . -96.26 125.39 8.41 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 120.537 -0.84 . . . . 16.66 113.306 -177.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 1.3 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 1.2 t -47.53 119.68 2.86 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.769 -0.716 . . . . 16.66 109.677 178.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.712 ' HB2' HG22 ' A' ' 52' ' ' VAL . 58.6 t0 -53.46 -41.83 66.57 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.363 -0.535 . . . . 25.0 110.565 -179.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.52 -17.33 11.74 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 120.459 -0.496 . . . . 50.0 110.971 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.3 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -90.19 0.85 56.99 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 108.575 -0.898 . . . . 16.66 108.575 179.035 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.621 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 5.0 pt20 31.94 36.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 113.94 -1.482 . . . . 16.66 113.982 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.597 ' OD1' ' OH ' ' A' ' 33' ' ' TYR . 16.6 p30 -135.18 171.2 14.77 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 119.975 -0.69 . . . . 50.0 111.302 177.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.507 ' O ' ' C ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -119.92 153.0 36.54 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 117.393 2.368 . . . . 16.66 117.393 -173.137 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.783 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -142.07 159.75 41.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 113.507 -1.679 . . . . 50.0 110.25 174.727 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.783 ' CE1' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -67.31 146.45 54.1 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 104.025 -2.583 . . . . 16.66 104.025 174.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.548 ' C ' HG22 ' A' ' 40' ' ' ILE . . . -45.95 -51.42 10.9 Favored Glycine 0 C--N 1.304 -1.225 0 C-N-CA 118.791 -1.671 . . . . 16.66 110.728 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' H ' ' HG3' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -75.39 -18.69 59.88 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 120.763 -0.375 . . . . 50.0 110.18 179.563 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 1.065 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 3.0 t -49.84 -29.64 8.39 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.393 -0.966 . . . . 16.66 108.393 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.2 m -115.97 15.33 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.79 -1.095 . . . . 16.66 110.612 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.49 46.27 33.31 Favored Glycine 0 N--CA 1.462 0.432 0 CA-C-N 115.705 -0.68 . . . . 16.66 112.366 178.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.548 HG22 ' C ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -120.39 168.09 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.086 0.469 . . . . 16.66 111.468 -179.443 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.502 ' N ' HG23 ' A' ' 40' ' ' ILE . 63.8 mt -61.07 165.87 3.97 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.613 -0.721 . . . . 50.0 110.402 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.512 ' NE2' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -79.55 -55.9 4.7 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.415 -0.811 . . . . 25.0 110.976 -179.465 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.584 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 72.7 m -67.61 -15.26 63.56 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.264 -0.88 . . . . 50.0 109.036 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.748 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -42.07 -19.94 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 115.29 -0.868 . . . . 50.0 110.288 -179.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.625 ' O ' HG21 ' B' ' 3' ' ' THR . . . -74.52 -45.04 48.31 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.905 -0.589 . . . . 25.0 110.626 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' SER . 46.8 tp10 -86.95 -45.71 10.54 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.839 1.052 . . . . 50.0 113.839 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.0 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.5 pp -55.83 -25.3 41.11 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.392 0.516 . . . . 16.66 112.392 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.0 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -86.17 172.66 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.703 0.763 . . . . 25.0 110.398 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -161.9 25.73 0.12 Allowed 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.294 -1.321 . . . . 50.0 109.213 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -170.29 39.22 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 106.574 -1.639 . . . . 50.0 106.574 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.741 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 29.9 t80 -66.0 147.15 53.8 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.813 -1.085 . . . . 16.66 111.528 -178.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.741 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 23.8 t -136.15 159.53 38.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 113.594 -1.639 . . . . 50.0 109.445 178.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.153 ' SG ' ' CB ' ' A' ' 56' ' ' CYS . 2.3 p -80.45 161.26 65.26 Favored Pre-proline 0 N--CA 1.417 -2.076 0 N-CA-C 109.344 -0.613 . . . . 16.66 109.344 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 15.9 Cg_endo -82.21 -29.74 1.46 Allowed 'Trans proline' 0 C--N 1.277 -3.19 0 C-N-CA 121.956 1.77 . . . . 16.66 112.396 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -83.05 -18.34 40.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.003 -1.11 . . . . 50.0 108.003 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 1.153 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 91.9 m . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 114.185 -1.371 . . . . 16.66 111.156 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.617 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 3.4 ttm-85 . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.818 0.342 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.625 HG21 ' O ' ' A' ' 45' ' ' ALA . 5.7 m . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 16.3 m-85 . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 121.292 0.568 . . . . 25.0 111.622 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.955 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 14.7 t -35.61 135.04 0.29 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.207 -0.906 . . . . 16.66 112.299 -178.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.727 HG23 ' CD1' ' A' ' 33' ' ' TYR . 19.1 pt -52.01 -7.34 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 113.879 -1.509 . . . . 50.0 107.984 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -86.2 -22.39 26.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 113.403 -1.726 . . . . 16.66 110.928 -179.497 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.583 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 95.3 mttt 82.53 78.87 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.943 0.349 . . . . 25.0 111.943 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.578 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 60.7 p -149.31 147.89 24.82 Favored Pre-proline 0 N--CA 1.468 0.453 0 CA-C-O 120.686 0.279 . . . . 50.0 111.285 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.7 -179.57 3.87 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.935 2.423 . . . . 50.0 111.68 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.54 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -83.49 130.32 35.01 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 121.516 0.674 . . . . 50.0 111.027 -179.148 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.727 ' C ' ' H ' ' A' ' 20' ' ' SER . 86.4 m-20 -140.75 119.83 12.81 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 114.648 -1.16 . . . . 50.0 109.38 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.55 8.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.34 0.59 . . . . 50.0 109.562 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.727 ' H ' ' C ' ' A' ' 18' ' ' ASP . 32.1 m -100.73 -21.43 15.2 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.694 -1.224 . . . . 50.0 107.694 178.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.749 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 2.8 tppt? -100.21 129.56 46.24 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 113.527 -1.67 . . . . 50.0 106.713 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 24.3 p90 -104.52 148.54 26.37 Favored 'General case' 0 CA--C 1.493 -1.214 0 C-N-CA 119.618 -0.833 . . . . 16.66 109.295 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.43 ' CE1' ' CE1' ' A' ' 17' ' ' TYR . 94.7 m-85 -124.6 169.48 11.88 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 117.538 2.421 . . . . 50.0 117.538 -173.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.005 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -145.81 131.28 12.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.196 0 CA-C-N 109.13 -3.668 . . . . 16.66 106.286 176.376 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.503 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -97.87 126.23 8.8 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 120.47 -0.871 . . . . 16.66 114.269 -177.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 1.308 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER -52.08 113.32 0.98 Allowed 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.588 -1.264 . . . . 16.66 107.588 176.384 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.497 ' CG ' ' O ' ' A' ' 51' ' ' TYR . 83.1 m-20 -64.32 -40.6 96.23 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-O 121.678 0.752 . . . . 25.0 109.119 -179.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 -93.83 -37.25 11.85 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.315 -1.311 . . . . 50.0 110.761 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.308 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -78.41 -28.66 46.86 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 119.857 -0.737 . . . . 16.66 110.069 -179.722 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.755 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 78.03 16.79 1.33 Allowed 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.321 1.23 . . . . 16.66 114.321 177.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.624 ' ND2' ' OH ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -136.33 173.68 11.45 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 119.714 1.143 . . . . 50.0 113.451 179.495 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.478 ' HD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -113.21 150.9 31.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 117.563 2.431 . . . . 16.66 117.563 -173.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.727 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -141.06 163.33 33.27 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 113.478 -1.692 . . . . 50.0 109.261 172.613 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.749 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -73.91 139.5 45.0 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.202 -2.147 . . . . 16.66 105.202 176.375 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.531 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -41.65 -46.16 4.68 Favored Glycine 0 C--N 1.308 -0.987 0 C-N-CA 119.267 -1.445 . . . . 16.66 111.683 -177.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.481 ' C ' ' H ' ' A' ' 39' ' ' GLY . 1.7 ptm180 -80.31 -18.67 48.53 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.358 -0.537 . . . . 50.0 109.955 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.6 t -51.02 -28.5 10.21 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 119.272 -0.971 . . . . 16.66 108.719 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.5 m -117.79 12.84 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 114.677 -1.147 . . . . 16.66 110.459 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 71.35 46.64 40.38 Favored Glycine 0 N--CA 1.46 0.295 0 CA-C-N 115.679 -0.691 . . . . 16.66 111.957 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.531 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -114.99 168.33 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.121 0.486 . . . . 16.66 111.354 -179.459 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.521 ' N ' HG23 ' A' ' 40' ' ' ILE . 46.7 mt -60.94 164.45 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.573 -0.74 . . . . 50.0 110.042 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.469 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -78.54 -55.08 5.49 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.517 -0.765 . . . . 25.0 110.207 -179.101 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.535 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 74.3 m -70.16 -14.72 62.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.221 -0.899 . . . . 50.0 109.377 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.746 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -41.58 -20.6 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.34 -0.846 . . . . 50.0 110.869 -178.714 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.788 ' O ' HG21 ' B' ' 3' ' ' THR . . . -75.26 -41.44 57.31 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 120.579 -0.448 . . . . 25.0 110.694 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 43' ' ' SER . 81.2 tt0 -87.66 -47.4 8.7 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.907 1.077 . . . . 50.0 113.907 -178.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.011 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -55.46 -26.13 40.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.515 0.561 . . . . 16.66 112.515 -177.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.011 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -86.14 172.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.527 0.679 . . . . 25.0 109.788 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 49' ' ' ASP . 47.0 t0 -154.02 0.46 0.22 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.653 -1.158 . . . . 50.0 109.707 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -147.98 44.8 1.08 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.197 -1.408 . . . . 50.0 107.197 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.644 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 21.6 t80 -66.49 142.57 57.5 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.951 -1.022 . . . . 16.66 111.175 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.644 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 14.8 t -133.02 158.85 43.37 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 113.606 -1.634 . . . . 50.0 108.159 177.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.003 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 6.7 p -80.25 161.0 66.73 Favored Pre-proline 0 N--CA 1.414 -2.227 0 CA-C-O 121.595 0.712 . . . . 16.66 109.997 -178.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.588 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 25.0 Cg_endo -79.14 -25.4 5.96 Favored 'Trans proline' 0 C--N 1.276 -3.244 0 C-N-CA 122.108 1.872 . . . . 16.66 110.657 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -74.57 -30.45 61.72 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.029 -0.987 . . . . 50.0 108.504 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-N 115.496 -0.775 . . . . 16.66 111.245 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.729 HH21 ' N ' ' A' ' 26' ' ' CYS . 21.9 mtm105 . . . . . 0 CA--C 1.52 -0.194 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.788 HG21 ' O ' ' A' ' 45' ' ' ALA . 18.0 m . . . . . 0 C--N 1.326 -0.429 0 C-N-CA 120.581 -0.447 . . . . 0.0 109.831 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.545 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 2.8 m-85 . . . . . 0 CA--C 1.535 0.366 0 CA-C-O 121.682 0.753 . . . . 25.0 112.461 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 1.02 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 2.3 t -34.52 124.74 0.52 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.429 -1.26 . . . . 16.66 113.568 -178.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.622 HG23 ' CD1' ' A' ' 33' ' ' TYR . 18.2 pt -55.8 -7.12 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 112.56 -2.109 . . . . 50.0 109.343 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.015 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -78.56 -17.33 56.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.676 -1.147 . . . . 16.66 110.679 -179.648 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.581 ' CG ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 90.11 36.84 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.531 0.52 . . . . 25.0 112.339 179.03 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.22 126.75 24.28 Favored Pre-proline 0 CA--C 1.542 0.651 0 O-C-N 122.216 -0.302 . . . . 50.0 110.852 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.91 -162.35 0.06 OUTLIER 'Trans proline' 0 N--CA 1.5 1.897 0 C-N-CA 122.531 2.154 . . . . 50.0 112.252 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.494 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -76.31 131.78 39.41 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.735 0.779 . . . . 50.0 111.622 -178.293 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.767 ' C ' ' H ' ' A' ' 20' ' ' SER . 75.7 m-20 -140.83 112.84 7.75 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.179 -1.373 . . . . 50.0 107.775 177.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -54.78 7.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.176 0.512 . . . . 50.0 110.15 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.767 ' H ' ' C ' ' A' ' 18' ' ' ASP . 3.6 t -106.9 -3.99 19.65 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.965 -1.124 . . . . 50.0 107.965 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.849 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -120.24 134.01 55.35 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 114.095 -1.412 . . . . 50.0 108.503 -179.886 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.462 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 35.6 p90 -110.8 137.07 48.91 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-O 121.77 0.795 . . . . 16.66 110.606 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.588 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 26.4 m-85 -113.88 174.48 5.91 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 116.395 1.998 . . . . 50.0 116.395 -176.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.046 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -144.56 135.14 20.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-N 109.468 -3.514 . . . . 16.66 107.058 177.712 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -95.79 126.52 8.81 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 120.755 -0.736 . . . . 16.66 113.775 -178.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 1.336 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 7.4 t -54.96 121.46 8.72 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.394 0.678 . . . . 16.66 109.564 177.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.693 ' HB2' HG22 ' A' ' 52' ' ' VAL . 57.6 t0 -54.58 -34.96 62.78 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.604 -0.438 . . . . 25.0 110.845 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.16 -37.22 5.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.269 -0.423 . . . . 50.0 110.75 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.336 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.16 -4.7 45.94 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.369 0.604 . . . . 16.66 110.203 -179.041 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 29' ' ' CYS . 3.8 pp0? 34.85 34.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.991 -1.004 . . . . 16.66 112.373 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.425 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 19.7 p30 -133.72 170.74 15.12 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 120.598 -0.441 . . . . 50.0 110.541 178.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.545 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -123.02 153.7 39.47 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 116.512 2.041 . . . . 16.66 116.512 -174.014 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.753 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -139.87 157.46 45.68 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 113.61 -1.632 . . . . 50.0 109.236 173.894 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 1.006 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -69.5 143.9 53.33 Favored 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 105.651 -1.981 . . . . 16.66 105.651 176.124 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.544 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.64 -55.71 4.51 Favored Glycine 0 C--N 1.309 -0.937 0 C-N-CA 119.553 -1.308 . . . . 16.66 111.78 -177.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.509 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -73.82 -19.25 60.8 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.741 -0.384 . . . . 50.0 110.02 179.565 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 1.02 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.7 t -50.26 -28.87 8.43 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.648 -0.871 . . . . 16.66 108.648 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.6 m -119.26 11.74 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.851 -1.068 . . . . 16.66 110.145 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 73.33 46.5 26.3 Favored Glycine 0 CA--C 1.518 0.237 0 CA-C-N 115.495 -0.775 . . . . 16.66 112.307 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.544 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -113.93 168.08 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.061 0.458 . . . . 16.66 111.025 -179.687 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.518 ' N ' HG23 ' A' ' 40' ' ' ILE . 33.7 mt -61.48 165.74 4.59 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.643 -0.708 . . . . 50.0 110.338 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.421 ' CA ' HE21 ' A' ' 42' ' ' GLN . 0.4 OUTLIER -79.67 -55.93 4.66 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.459 -0.791 . . . . 25.0 110.966 -179.361 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.629 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 74.7 m -67.35 -16.02 64.02 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.481 -0.781 . . . . 50.0 109.027 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.743 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -42.11 -20.47 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 115.435 -0.802 . . . . 50.0 110.377 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.811 ' O ' HG21 ' B' ' 3' ' ' THR . . . -72.09 -48.91 40.56 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.914 -0.585 . . . . 25.0 110.681 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 43' ' ' SER . 49.9 mt-10 -87.96 -43.06 12.04 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 114.441 1.274 . . . . 50.0 114.441 -178.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.048 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -55.43 -26.02 39.57 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.294 0.479 . . . . 16.66 112.294 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.048 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.2 pp -85.76 172.3 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.56 0.695 . . . . 25.0 109.95 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 49' ' ' ASP . 49.7 t0 -159.23 10.59 0.13 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.695 -1.139 . . . . 50.0 109.41 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -158.29 41.56 0.27 Allowed 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 106.337 -1.727 . . . . 50.0 106.337 179.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.692 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 27.8 t80 -66.19 146.89 54.11 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.556 -1.202 . . . . 16.66 111.383 -178.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.693 HG22 ' HB2' ' A' ' 27' ' ' ASP . 21.7 t -135.61 157.3 39.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.149 0 CA-C-N 113.549 -1.659 . . . . 50.0 109.025 178.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.311 ' CB ' ' HG ' ' A' ' 26' ' ' CYS . 1.8 p -79.06 161.96 66.33 Favored Pre-proline 0 N--CA 1.416 -2.145 0 N-CA-C 108.79 -0.818 . . . . 16.66 108.79 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.479 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 21.0 Cg_endo -82.87 -29.32 1.33 Allowed 'Trans proline' 0 C--N 1.276 -3.246 0 C-N-CA 121.721 1.614 . . . . 16.66 111.377 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -73.79 -30.36 62.7 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.537 -0.912 . . . . 50.0 108.537 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.963 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 10.6 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 114.949 -1.023 . . . . 16.66 109.665 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.6 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 37.6 mtm180 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.79 0.328 . . . . 0.0 111.507 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.811 HG21 ' O ' ' A' ' 45' ' ' ALA . 18.9 m . . . . . 0 C--N 1.328 -0.337 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.509 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 1.5 m-85 . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 1.072 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 1.2 t -33.66 124.39 0.44 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.201 -1.363 . . . . 16.66 112.975 -178.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.711 HG23 ' CD1' ' A' ' 33' ' ' TYR . 20.2 pt -52.77 -6.99 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-N 112.385 -2.189 . . . . 50.0 109.153 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.042 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -83.12 -3.58 57.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.431 -1.259 . . . . 16.66 109.939 179.587 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 67.57 58.14 0.53 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.756 -0.657 . . . . 25.0 112.412 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 m -141.0 121.28 8.66 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 120.866 -0.334 . . . . 50.0 111.292 178.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -50.29 -174.43 0.01 OUTLIER 'Trans proline' 0 N--CA 1.502 1.978 0 C-N-CA 123.359 2.706 . . . . 50.0 113.366 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.509 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -78.9 131.27 36.34 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 121.48 0.657 . . . . 50.0 111.238 -179.296 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.727 ' C ' ' H ' ' A' ' 20' ' ' SER . 94.6 m-20 -141.56 117.02 10.2 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.618 -1.174 . . . . 50.0 108.457 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -53.52 4.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.17 0.509 . . . . 50.0 110.233 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.727 ' H ' ' C ' ' A' ' 18' ' ' ASP . 5.8 m -98.18 -12.79 21.34 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 107.972 -1.121 . . . . 50.0 107.972 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.853 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -111.99 134.67 53.4 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 113.852 -1.522 . . . . 50.0 108.69 179.629 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.46 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 49.0 p90 -112.18 128.87 56.36 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 122.067 0.936 . . . . 16.66 110.759 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.577 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 40.3 m-85 -104.26 174.76 5.73 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 116.3 1.963 . . . . 50.0 116.3 -175.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.986 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -149.51 128.49 3.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 109.482 -3.508 . . . . 16.66 106.571 177.765 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -88.49 122.29 6.3 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 114.75 0.66 . . . . 16.66 114.75 -177.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 1.458 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -49.48 113.38 0.81 Allowed 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.434 -1.691 . . . . 16.66 106.434 175.454 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.586 ' H ' ' HA ' ' A' ' 52' ' ' VAL . 64.2 t0 -62.83 -37.09 85.4 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 121.904 0.859 . . . . 25.0 108.997 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.6 ttt-85 -96.47 -40.94 8.83 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.09 -1.413 . . . . 50.0 110.569 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.313 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.1 -24.31 51.79 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 119.996 -0.682 . . . . 16.66 110.554 -178.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.755 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 68.29 25.03 7.23 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.04 0.755 . . . . 16.66 113.04 178.357 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.588 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 26.3 p30 -134.44 170.86 15.12 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 120.363 -0.535 . . . . 50.0 111.499 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.501 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -120.23 150.17 41.1 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 115.825 1.787 . . . . 16.66 115.825 -175.145 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.711 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -137.59 160.27 39.65 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.193 -1.367 . . . . 50.0 109.113 174.208 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.853 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -73.85 142.26 46.08 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 105.162 -2.162 . . . . 16.66 105.162 175.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.508 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.08 -53.66 4.68 Favored Glycine 0 C--N 1.306 -1.117 0 C-N-CA 119.648 -1.263 . . . . 16.66 112.117 -177.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.516 ' C ' ' H ' ' A' ' 39' ' ' GLY . 2.8 ptt180 -75.22 -20.4 59.27 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 120.575 -0.45 . . . . 50.0 110.054 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 1.072 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.8 t -51.43 -26.75 8.6 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 108.807 -0.812 . . . . 16.66 108.807 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.7 m -121.13 8.1 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.705 -1.134 . . . . 16.66 110.079 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.516 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 74.41 47.04 17.79 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-N 115.707 -0.679 . . . . 16.66 111.718 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.508 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -112.35 165.95 6.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.735 -0.386 . . . . 16.66 110.607 -179.335 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.871 ' N ' ' OE2' ' A' ' 44' ' ' GLU . 90.1 mt -59.17 164.57 3.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.298 0.57 . . . . 50.0 109.668 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.435 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.5 OUTLIER -78.78 -55.5 5.12 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.317 -0.856 . . . . 25.0 110.618 -178.513 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.61 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 73.8 m -70.78 -15.79 62.7 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.095 -0.957 . . . . 50.0 109.653 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.871 ' OE2' ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -42.98 -19.13 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.601 -0.727 . . . . 50.0 111.124 -178.158 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.709 ' O ' HG21 ' B' ' 3' ' ' THR . . . -71.15 -50.42 33.59 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.637 -0.425 . . . . 25.0 111.605 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.19 -41.12 13.98 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.235 1.198 . . . . 50.0 114.235 -178.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.037 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -56.27 -23.99 39.94 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.12 0.415 . . . . 16.66 112.12 -178.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.037 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.1 pp -85.7 171.54 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.417 0.627 . . . . 25.0 109.793 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -160.75 20.29 0.13 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.905 -1.043 . . . . 50.0 109.44 -178.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -169.93 39.61 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 106.05 -1.833 . . . . 50.0 106.05 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.666 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 28.2 t80 -66.15 143.06 57.52 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.454 -1.248 . . . . 16.66 111.487 -178.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.666 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 14.4 t -131.02 159.22 43.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 113.709 -1.587 . . . . 50.0 108.643 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.458 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 5.7 p -81.75 159.4 66.39 Favored Pre-proline 0 N--CA 1.413 -2.287 0 CA-C-O 121.252 0.549 . . . . 16.66 109.578 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.479 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 26.1 Cg_endo -81.8 -25.71 3.43 Favored 'Trans proline' 0 C--N 1.277 -3.188 0 C-N-CA 121.686 1.59 . . . . 16.66 109.754 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -69.2 -36.45 77.29 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.395 -1.335 . . . . 50.0 107.395 176.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.231 0 CA-C-N 115.112 -0.949 . . . . 16.66 109.661 178.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.551 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 75.4 mtm-85 . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.562 0.22 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.709 HG21 ' O ' ' A' ' 45' ' ' ALA . 15.1 m . . . . . 0 C--N 1.327 -0.412 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.528 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 17.4 m-85 . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 121.139 0.495 . . . . 25.0 111.418 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.977 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 7.1 t -37.17 137.0 0.39 Allowed 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 122.02 0.914 . . . . 16.66 112.325 -178.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.846 HG23 ' CD2' ' A' ' 33' ' ' TYR . 23.6 pt -52.1 -6.53 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.754 -1.566 . . . . 50.0 107.997 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -87.18 -22.33 25.36 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 113.552 -1.658 . . . . 16.66 110.826 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 31.4 mttm 82.93 78.99 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.289 0.478 . . . . 25.0 112.289 179.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.494 ' HG1' ' CE1' ' A' ' 34' ' ' HIS . 0.5 OUTLIER -148.77 158.08 40.07 Favored Pre-proline 0 N--CA 1.47 0.561 0 CA-C-O 120.799 0.333 . . . . 50.0 111.7 179.698 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.39 179.12 6.79 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 123.232 2.621 . . . . 50.0 111.991 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.528 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -82.52 131.6 35.21 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 121.466 0.65 . . . . 50.0 110.835 -179.551 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.719 ' C ' ' H ' ' A' ' 20' ' ' SER . 95.7 m-20 -140.38 118.91 12.25 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 114.844 -1.071 . . . . 50.0 109.055 178.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -58.88 8.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.366 0.603 . . . . 50.0 109.528 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.719 ' H ' ' C ' ' A' ' 18' ' ' ASP . 13.7 m -103.24 -10.41 18.77 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.77 -1.196 . . . . 50.0 107.77 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.653 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -115.47 129.48 56.57 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 113.487 -1.688 . . . . 50.0 106.447 179.047 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -108.76 147.22 32.34 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 119.506 -0.878 . . . . 16.66 108.958 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 43.7 m-85 -122.9 173.08 8.01 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.916 2.191 . . . . 50.0 116.916 -174.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.068 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -145.1 128.52 11.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-N 108.899 -3.773 . . . . 16.66 106.907 176.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.408 ' H ' ' HA ' ' B' ' 3' ' ' THR . . . -91.29 121.19 6.22 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 121.242 -0.504 . . . . 16.66 114.277 -176.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 1.461 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.7 OUTLIER -47.67 107.85 0.14 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.344 -0.984 . . . . 16.66 108.344 176.615 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.63 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 88.1 m-20 -65.08 -33.63 76.49 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.381 0.61 . . . . 25.0 109.708 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.73 -24.37 15.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.174 -0.921 . . . . 50.0 110.394 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.288 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -96.27 -29.66 13.88 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 120.132 -0.627 . . . . 16.66 110.391 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.773 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER 82.02 16.12 0.45 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.173 1.175 . . . . 16.66 114.173 178.133 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.509 ' OD1' ' CE2' ' A' ' 33' ' ' TYR . 4.3 p30 -135.92 173.04 12.15 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 119.613 1.097 . . . . 50.0 112.606 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.517 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -114.77 152.11 32.64 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 117.31 2.337 . . . . 16.66 117.31 -174.332 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.846 ' CD2' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -141.01 161.42 37.89 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-N 114.169 -1.378 . . . . 50.0 109.005 172.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.717 ' O ' ' N ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -76.66 133.19 39.65 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 106.845 -1.539 . . . . 16.66 106.845 177.46 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.801 ' HA3' HG22 ' A' ' 40' ' ' ILE . . . -41.14 -38.63 1.87 Allowed Glycine 0 C--N 1.304 -1.196 0 C-N-CA 119.724 -1.227 . . . . 16.66 110.373 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.613 ' H ' ' HD2' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -67.62 -34.28 76.66 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 108.798 -0.816 . . . . 50.0 108.798 177.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 1.7 t -69.09 -49.7 54.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.381 -1.282 . . . . 16.66 110.712 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -81.92 -22.39 9.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 114.25 -1.341 . . . . 16.66 109.85 -179.796 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 86.11 44.64 5.9 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 109.693 -1.363 . . . . 16.66 109.693 -178.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.801 HG22 ' HA3' ' A' ' 35' ' ' GLY . 2.0 tp -106.6 164.12 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-O 121.2 0.524 . . . . 16.66 111.588 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.769 ' O ' HG23 ' A' ' 40' ' ' ILE . 78.8 mt -63.52 166.78 6.27 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.126 -0.943 . . . . 50.0 108.937 177.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.455 ' HA ' HE21 ' A' ' 42' ' ' GLN . 0.5 OUTLIER -77.74 -54.93 5.77 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 120.03 -0.668 . . . . 25.0 111.114 -178.56 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.457 ' C ' ' N ' ' A' ' 45' ' ' ALA . 50.7 m -70.17 -16.66 63.11 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.347 -0.842 . . . . 50.0 110.127 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.844 ' HA ' HD11 ' A' ' 47' ' ' LEU . 2.8 mt-10 -45.62 -18.3 0.04 OUTLIER 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.432 -0.507 . . . . 50.0 110.994 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.921 ' O ' HG21 ' B' ' 3' ' ' THR . . . -56.0 -58.65 7.01 Favored 'General case' 0 C--N 1.309 -1.175 0 C-N-CA 120.169 -0.612 . . . . 25.0 110.955 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -89.48 -42.64 11.35 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.776 1.769 . . . . 50.0 115.776 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.88 HD12 ' N ' ' A' ' 48' ' ' ILE . 3.3 pp -55.08 -28.45 52.5 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.661 1.356 . . . . 16.66 114.661 -175.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.88 ' N ' HD12 ' A' ' 47' ' ' LEU . 1.7 pp -85.3 172.52 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-O 121.726 0.774 . . . . 25.0 110.07 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -159.0 6.92 0.11 Allowed 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.391 -1.277 . . . . 50.0 109.373 -179.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -147.97 34.28 0.83 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.157 -1.383 . . . . 50.0 107.387 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.68 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 5.7 t80 -66.0 147.08 53.91 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 115.226 -0.897 . . . . 16.66 109.787 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.68 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 21.6 t -134.79 155.92 39.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-N 114.569 -1.196 . . . . 50.0 109.576 178.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.461 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 5.9 p -76.9 157.56 81.51 Favored Pre-proline 0 N--CA 1.415 -2.216 0 CA-C-O 121.454 0.645 . . . . 16.66 110.046 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 27.4 Cg_endo -79.35 -27.78 4.08 Favored 'Trans proline' 0 C--N 1.276 -3.237 0 C-N-CA 121.921 1.747 . . . . 16.66 110.738 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -72.18 -32.58 66.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.107 -1.071 . . . . 50.0 108.107 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 1.138 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 3.5 m . . . . . 0 N--CA 1.455 -0.183 0 CA-C-N 114.777 -1.101 . . . . 16.66 110.573 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.63 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 85.0 mtm-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.706 0.288 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.921 HG21 ' O ' ' A' ' 45' ' ' ALA . 24.5 m . . . . . 0 C--N 1.326 -0.42 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.55 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 14.8 m-85 . . . . . 0 CA--C 1.534 0.344 0 CA-C-O 121.825 0.822 . . . . 25.0 111.686 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 1.141 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -34.37 128.85 0.41 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.323 -1.308 . . . . 16.66 112.498 -178.665 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.793 HG23 ' CD2' ' A' ' 33' ' ' TYR . 27.6 pt -50.14 -6.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 113.121 -1.854 . . . . 50.0 109.201 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.035 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -87.8 -3.72 58.93 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.668 -1.151 . . . . 16.66 110.79 -179.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 43.1 mttp 69.41 79.22 0.2 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -160.67 143.42 9.67 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 120.79 -0.364 . . . . 50.0 111.222 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.49 -170.05 0.54 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.648 2.232 . . . . 50.0 111.051 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.55 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -82.79 129.6 35.01 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.598 0.713 . . . . 50.0 111.195 -179.175 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.742 ' C ' ' H ' ' A' ' 20' ' ' SER . 80.9 m-20 -140.47 115.14 9.51 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.485 -1.234 . . . . 50.0 108.939 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -56.6 6.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.311 0.577 . . . . 50.0 109.683 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.742 ' H ' ' C ' ' A' ' 18' ' ' ASP . 55.9 m -100.63 -5.64 26.37 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.517 -1.29 . . . . 50.0 107.517 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.736 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 1.4 tptp -123.99 130.49 52.66 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 113.13 -1.85 . . . . 50.0 106.858 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 46.6 p90 -112.12 132.05 55.09 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 122.051 0.929 . . . . 16.66 111.05 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.608 ' CD1' ' N ' ' A' ' 23' ' ' TYR . 26.1 m-85 -108.05 174.87 5.69 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 116.76 2.134 . . . . 50.0 116.76 -175.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.02 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -148.02 137.07 15.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 CA-C-N 108.894 -3.775 . . . . 16.66 105.972 177.634 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.09 124.27 8.19 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 120.252 -0.975 . . . . 16.66 114.889 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 1.266 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -47.86 122.18 4.78 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.65 0.78 . . . . 16.66 109.433 176.753 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.546 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 76.1 m-20 -58.17 -38.55 76.88 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.007 -0.677 . . . . 25.0 111.078 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.577 ' H ' ' HD3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -112.51 -30.08 7.26 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 120.977 -0.289 . . . . 50.0 110.611 179.523 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.266 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -71.14 -21.85 62.14 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 108.38 -0.97 . . . . 16.66 108.38 179.002 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.704 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 65.26 16.12 10.37 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.671 1.36 . . . . 16.66 114.671 177.228 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -135.01 173.28 11.9 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 114.299 1.222 . . . . 50.0 114.299 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.498 ' CD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -108.11 145.88 33.45 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 117.621 2.452 . . . . 16.66 117.621 -173.47 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.793 ' CD2' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -138.55 155.23 48.56 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.129 -1.851 . . . . 50.0 108.599 172.676 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.898 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 1.4 m80 -69.46 141.44 54.0 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 105.891 -1.892 . . . . 16.66 105.891 177.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.483 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.91 -45.48 5.92 Favored Glycine 0 C--N 1.308 -0.992 0 C-N-CA 119.61 -1.281 . . . . 16.66 111.417 -178.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.456 ' HG3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -81.25 -19.92 42.08 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.317 -0.623 . . . . 50.0 109.317 178.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 1.141 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER -51.84 -25.07 7.05 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.702 -0.851 . . . . 16.66 108.702 179.51 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.27 11.07 4.36 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 CA-C-N 115.206 -0.907 . . . . 16.66 110.829 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.36 47.06 30.65 Favored Glycine 0 N--CA 1.465 0.574 0 C-N-CA 121.182 -0.533 . . . . 16.66 112.768 178.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.483 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -111.08 165.8 6.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 121.159 -0.216 . . . . 16.66 110.682 -179.471 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 9.1 mp -60.34 165.45 3.58 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.407 0.623 . . . . 50.0 110.046 178.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.58 -56.99 4.0 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.085 -0.961 . . . . 25.0 110.861 -178.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.547 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 15.7 t -70.47 -16.0 62.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.58 -0.736 . . . . 50.0 109.212 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.757 ' HA ' HD11 ' A' ' 47' ' ' LEU . 2.7 tt0 -43.37 -18.76 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.3 -0.864 . . . . 50.0 111.408 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.83 ' O ' HG21 ' B' ' 3' ' ' THR . . . -68.51 -50.86 48.94 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 120.417 -0.513 . . . . 25.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -86.61 -43.07 12.94 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.154 1.168 . . . . 50.0 114.154 -178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 1.104 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.1 pp -55.28 -25.1 31.82 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.204 0.446 . . . . 16.66 112.204 -177.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 1.104 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -84.92 172.13 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 120.247 -0.581 . . . . 25.0 109.438 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -156.72 12.72 0.26 Allowed 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.101 -0.954 . . . . 50.0 109.453 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -164.81 43.95 0.09 Allowed 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 106.151 -1.796 . . . . 50.0 106.151 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.811 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 8.6 t80 -65.62 148.29 51.99 Favored 'General case' 0 CA--C 1.498 -1.056 0 CA-C-N 114.818 -1.083 . . . . 16.66 110.55 -178.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.811 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 38.2 t -131.2 158.68 43.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-N 114.103 -1.408 . . . . 50.0 110.648 179.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.135 ' SG ' ' CB ' ' A' ' 56' ' ' CYS . 3.0 p -78.67 161.02 70.87 Favored Pre-proline 0 N--CA 1.415 -2.183 0 N-CA-C 109.15 -0.685 . . . . 16.66 109.15 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.536 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 38.4 Cg_endo -77.11 -37.21 1.13 Allowed 'Trans proline' 0 C--N 1.273 -3.403 0 C-N-CA 121.427 1.418 . . . . 16.66 111.508 -178.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -69.07 -29.77 67.96 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.007 -1.109 . . . . 50.0 108.007 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 62.3 m . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 114.188 -1.369 . . . . 16.66 111.186 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.546 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 35.8 mtm180 . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.807 0.337 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.83 HG21 ' O ' ' A' ' 45' ' ' ALA . 18.3 m . . . . . 0 C--N 1.327 -0.382 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.151 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 19.8 m-85 . . . . . 0 CA--C 1.529 0.139 0 CA-C-O 121.175 0.512 . . . . 25.0 111.371 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.949 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 12.4 t -35.94 137.66 0.22 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.92 0.867 . . . . 16.66 112.396 -178.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.671 HG23 ' CD1' ' A' ' 33' ' ' TYR . 14.2 pt -51.96 -7.17 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 113.834 -1.53 . . . . 50.0 107.609 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -87.43 -20.1 27.11 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 113.187 -1.824 . . . . 16.66 110.818 -179.504 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 61.9 mttp 76.97 79.52 0.08 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.592 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 39.0 p -148.26 148.73 30.03 Favored Pre-proline 0 N--CA 1.468 0.454 0 CA-C-O 120.755 0.312 . . . . 50.0 111.459 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.27 170.08 19.16 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 123.049 2.499 . . . . 50.0 111.773 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.558 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 1.0 OUTLIER -75.01 130.52 39.49 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 121.562 0.696 . . . . 50.0 111.185 -179.097 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.648 ' C ' ' H ' ' A' ' 20' ' ' SER . 99.5 m-20 -140.96 129.17 22.21 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.622 -1.172 . . . . 50.0 109.116 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 19' ' ' GLU . 23.1 mp0 -66.07 8.75 0.18 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.934 -0.765 . . . . 50.0 108.934 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.648 ' H ' ' C ' ' A' ' 18' ' ' ASP . 38.5 m -100.7 -20.07 15.77 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.45 -1.315 . . . . 50.0 107.45 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.79 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -105.51 129.77 53.72 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 106.367 -1.716 . . . . 50.0 106.367 178.305 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.466 ' HD2' ' HB2' ' A' ' 45' ' ' ALA . 51.3 p90 -106.25 149.59 26.74 Favored 'General case' 0 CA--C 1.496 -1.105 0 C-N-CA 119.34 -0.944 . . . . 16.66 109.291 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.516 ' CE1' ' CE1' ' A' ' 17' ' ' TYR . 87.8 m-85 -123.51 167.84 13.37 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 117.308 2.336 . . . . 50.0 117.308 -173.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 1.007 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.3 128.02 7.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 CA-C-N 109.264 -3.607 . . . . 16.66 106.557 176.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -92.01 126.05 8.34 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 120.743 -0.741 . . . . 16.66 114.12 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 1.446 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 2.0 t -48.35 108.43 0.17 Allowed 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.993 -1.114 . . . . 16.66 107.993 176.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.511 ' CB ' HG22 ' A' ' 52' ' ' VAL . 22.4 t70 -50.14 -38.16 37.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.434 -0.506 . . . . 25.0 110.499 -178.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.536 ' C ' HE21 ' A' ' 30' ' ' GLN . 0.1 OUTLIER -103.93 -37.03 7.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.04 -0.527 . . . . 50.0 110.574 179.495 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 1.341 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.32 -8.88 58.36 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.991 0.424 . . . . 16.66 110.858 -178.366 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.561 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 10.4 mm-40 48.95 29.83 2.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.756 -0.656 . . . . 16.66 112.544 178.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.63 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 19.9 p30 -134.74 169.15 17.78 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 119.59 -0.844 . . . . 50.0 111.207 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.506 ' HD1' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -120.69 151.19 39.83 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 116.825 2.158 . . . . 16.66 116.825 -173.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.671 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -140.16 166.99 23.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.855 -1.52 . . . . 50.0 109.553 173.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.79 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -75.73 137.53 40.67 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 105.525 -2.028 . . . . 16.66 105.525 176.071 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.589 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.04 -40.61 3.37 Favored Glycine 0 C--N 1.304 -1.239 0 C-N-CA 119.454 -1.355 . . . . 16.66 112.166 -177.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -81.71 -21.87 37.73 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.208 -0.664 . . . . 50.0 109.208 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 4.6 t -52.31 -25.89 10.74 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 108.659 -0.867 . . . . 16.66 108.659 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.1 m -121.23 12.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 114.629 -1.168 . . . . 16.66 110.166 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 70.52 47.34 42.77 Favored Glycine 0 N--CA 1.462 0.408 0 CA-C-N 115.665 -0.698 . . . . 16.66 112.376 178.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.589 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -116.73 169.14 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.14 0.495 . . . . 16.66 111.691 -179.084 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.521 ' N ' HG23 ' A' ' 40' ' ' ILE . 18.5 mt -60.51 166.38 3.18 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.388 -0.824 . . . . 50.0 111.074 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.448 HE21 ' HB3' ' A' ' 42' ' ' GLN . 2.8 tt0 -78.52 -54.18 6.43 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.618 -1.174 . . . . 25.0 110.042 -179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 45' ' ' ALA . 24.8 m -70.85 -16.52 62.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.755 -1.111 . . . . 50.0 109.86 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.866 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.4 mm-40 -42.16 -17.0 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.872 -0.604 . . . . 50.0 110.698 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.891 ' O ' HG21 ' B' ' 3' ' ' THR . . . -82.53 -54.69 4.98 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.347 -0.388 . . . . 25.0 112.028 -179.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.559 ' C ' ' H ' ' A' ' 48' ' ' ILE . 55.3 mp0 -77.6 -51.48 10.58 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.659 0.985 . . . . 50.0 113.659 -177.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.866 HD11 ' HA ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -72.05 15.13 0.17 Allowed 'General case' 0 CA--C 1.494 -1.181 0 CA-C-O 121.054 0.454 . . . . 16.66 110.354 -179.352 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.822 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -112.08 149.8 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 CA-C-N 115.26 -0.882 . . . . 25.0 113.214 -176.061 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.74 ' H ' HD13 ' A' ' 48' ' ' ILE . 60.3 t0 -166.54 36.65 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.466 -1.243 . . . . 50.0 110.09 -178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.464 ' H ' HD12 ' A' ' 48' ' ' ILE . 23.1 pt-20 -168.96 11.11 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.995 -0.743 . . . . 50.0 108.995 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.604 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 5.8 t80 -68.97 147.46 51.58 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 115.535 -0.757 . . . . 16.66 111.005 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.604 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 39.3 t -134.07 159.9 42.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 114.79 -1.095 . . . . 50.0 108.811 177.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.446 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.5 p -78.64 155.07 78.64 Favored Pre-proline 0 N--CA 1.413 -2.29 0 CA-C-O 121.488 0.661 . . . . 16.66 109.672 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 41.4 Cg_endo -76.13 -30.5 5.57 Favored 'Trans proline' 0 C--N 1.277 -3.224 0 C-N-CA 121.839 1.693 . . . . 16.66 111.202 -178.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.669 ' NE2' HG22 ' A' ' 12' ' ' ILE . 52.2 mt-30 -69.26 -32.39 71.55 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.632 -1.247 . . . . 50.0 107.632 177.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 1.16 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 5.6 m . . . . . 0 N--CA 1.452 -0.362 0 CA-C-N 114.205 -1.361 . . . . 16.66 110.32 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.544 ' NH2' ' O ' ' A' ' 26' ' ' CYS . 10.6 ttp-105 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 121.078 0.466 . . . . 0.0 109.752 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' THR . . . . . 0.891 HG21 ' O ' ' A' ' 45' ' ' ALA . 33.5 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.784 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -54.85 134.05 61.01 Favored 'Trans proline' 0 C--N 1.307 -1.618 0 C-N-CA 122.613 2.209 . . . . 0.0 111.929 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.7 mt -110.69 139.17 46.21 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.525 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.72 -80.82 1.52 Allowed Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.715 -0.954 . . . . 50.0 110.715 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 m -129.79 144.2 51.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.706 0.289 . . . . 50.0 110.405 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -89.02 110.48 21.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 50.0 110.46 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.1 p -130.52 167.09 19.23 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.15 -0.477 . . . . 50.0 110.689 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -129.15 178.56 6.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.837 -0.62 . . . . 50.0 110.41 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.822 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -122.37 -175.2 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.815 -0.629 . . . . 50.0 110.681 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.788 ' N ' HD22 ' A' ' 9' ' ' LEU . 8.7 m-85 -67.33 -109.68 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 -178.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.99 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 43.1 t -36.39 134.21 0.46 Allowed 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 122.281 1.039 . . . . 16.66 113.045 -177.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.729 HG23 ' CD1' ' A' ' 33' ' ' TYR . 7.5 pt -59.91 -7.39 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 CA-C-N 113.328 -1.76 . . . . 50.0 108.03 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.99 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -92.46 25.21 3.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 113.546 -1.661 . . . . 16.66 111.326 -178.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.406 ' HG2' ' C ' ' A' ' 13' ' ' CYS . 47.8 pttt 42.45 72.39 0.18 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.588 0.588 . . . . 25.0 112.588 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.45 ' H ' ' CD2' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -151.95 123.57 3.81 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 116.227 -0.442 . . . . 50.0 110.409 178.542 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 7.7 Cg_exo -69.55 177.18 5.69 Favored 'Trans proline' 0 N--CA 1.496 1.643 0 C-N-CA 122.288 1.992 . . . . 50.0 111.955 178.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.766 ' CE1' HM33 ' B' ' 4' ' ' M3L . 0.6 OUTLIER -61.85 133.28 55.27 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.663 0.745 . . . . 50.0 111.231 -179.123 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.761 ' C ' ' H ' ' A' ' 20' ' ' SER . 77.5 m-20 -141.24 114.26 8.54 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 114.433 -1.258 . . . . 50.0 107.768 177.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -55.15 7.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.145 0.498 . . . . 50.0 110.246 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.761 ' H ' ' C ' ' A' ' 18' ' ' ASP . 2.6 t -105.82 -7.34 18.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.872 -1.159 . . . . 50.0 107.872 178.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.69 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 3.7 tptp -115.26 131.76 56.83 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 113.923 -1.489 . . . . 50.0 108.142 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 46.6 p90 -109.68 141.29 42.47 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 109.127 -0.694 . . . . 16.66 109.127 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.902 ' CG ' HM12 ' B' ' 4' ' ' M3L . 24.2 m-85 -116.8 175.74 5.44 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 116.532 2.049 . . . . 50.0 116.532 -175.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.0 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.98 128.86 6.75 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.226 0 CA-C-N 109.161 -3.654 . . . . 16.66 106.464 177.564 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -88.46 126.29 8.06 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 120.955 -0.641 . . . . 16.66 114.201 -177.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.423 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.7 t -47.72 113.23 0.67 Allowed 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.97 -1.492 . . . . 16.66 106.97 176.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.629 ' HB3' HG22 ' A' ' 52' ' ' VAL . 22.1 t70 -63.13 -35.43 80.25 Favored 'General case' 0 CA--C 1.505 -0.78 0 CA-C-O 121.647 0.737 . . . . 25.0 109.617 -178.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -102.51 -27.28 12.87 Favored 'General case' 0 N--CA 1.438 -1.057 0 CA-C-N 114.555 -1.202 . . . . 50.0 110.563 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.327 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -89.45 -28.12 19.92 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 119.751 -0.78 . . . . 16.66 110.397 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.792 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER 74.08 25.65 1.8 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 112.773 0.657 . . . . 16.66 112.773 178.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.617 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 25.6 p30 -133.58 169.71 16.6 Favored 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 121.749 -0.594 . . . . 50.0 111.353 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.816 ' CB ' HM13 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -118.09 149.22 41.37 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 116.59 2.07 . . . . 16.66 116.59 -174.377 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.729 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -140.46 165.18 28.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 113.936 -1.484 . . . . 50.0 108.606 173.58 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.69 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -71.68 143.37 49.72 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 106.501 -1.666 . . . . 16.66 106.501 176.4 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.31 -49.66 5.57 Favored Glycine 0 C--N 1.307 -1.052 0 C-N-CA 119.72 -1.229 . . . . 16.66 111.517 -178.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.497 ' C ' ' H ' ' A' ' 39' ' ' GLY . 3.1 ptt180 -76.41 -20.41 57.13 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-O 121.033 0.444 . . . . 50.0 109.912 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.943 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 4.5 t -50.95 -28.05 8.94 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.722 -0.844 . . . . 16.66 108.722 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.6 m -117.2 13.15 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 114.828 -1.078 . . . . 16.66 110.104 179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.02 46.71 34.87 Favored Glycine 0 CA--C 1.52 0.4 0 CA-C-N 115.311 -0.859 . . . . 16.66 112.37 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.502 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -114.79 168.04 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.169 0.509 . . . . 16.66 111.303 -179.736 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.491 ' N ' HG23 ' A' ' 40' ' ' ILE . 29.8 mt -62.01 166.01 5.03 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.344 -0.844 . . . . 50.0 110.934 179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.416 ' CA ' HE21 ' A' ' 42' ' ' GLN . 0.6 OUTLIER -79.29 -55.33 5.16 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.113 -0.949 . . . . 25.0 110.762 -179.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 46' ' ' GLU . 47.2 t -66.18 -16.96 64.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.39 -0.823 . . . . 50.0 109.344 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 1.048 ' O ' ' HB ' ' A' ' 48' ' ' ILE . 1.1 mm-40 -44.2 -19.76 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.638 0 CA-C-N 115.386 -0.824 . . . . 50.0 110.548 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.905 ' O ' HG21 ' B' ' 3' ' ' THR . . . -74.67 -38.93 62.3 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 120.489 -0.484 . . . . 25.0 110.23 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.565 ' C ' ' H ' ' A' ' 48' ' ' ILE . 85.2 tt0 -87.54 -53.06 5.0 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 112.99 0.737 . . . . 50.0 112.99 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.74 HD11 ' HA ' ' A' ' 44' ' ' GLU . 4.3 pp -66.74 12.49 0.07 Allowed 'General case' 0 CA--C 1.494 -1.205 0 CA-C-N 115.746 -0.661 . . . . 16.66 111.028 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.048 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -117.26 150.37 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.487 0 C-N-CA 119.426 -0.91 . . . . 25.0 113.148 -176.425 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.757 ' H ' HD13 ' A' ' 48' ' ' ILE . 61.3 t0 -169.19 27.78 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.64 -1.164 . . . . 50.0 110.238 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.602 ' CA ' ' HB2' ' B' ' 1' ' ' ALA . 3.1 mt-10 -161.5 14.76 0.1 Allowed 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.137 -1.06 . . . . 50.0 108.137 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 51' ' ' TYR . 2.3 t80 -68.07 147.3 52.55 Favored 'General case' 0 CA--C 1.506 -0.721 0 CA-C-N 115.135 -0.939 . . . . 16.66 110.7 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.629 HG22 ' HB3' ' A' ' 27' ' ' ASP . 14.3 t -131.65 159.93 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.96 0 CA-C-N 114.61 -1.177 . . . . 50.0 108.601 177.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.423 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 8.2 p -80.42 155.64 73.97 Favored Pre-proline 0 N--CA 1.415 -2.213 0 CA-C-O 121.431 0.634 . . . . 16.66 110.117 -178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 24.6 Cg_endo -79.1 -23.12 7.99 Favored 'Trans proline' 0 C--N 1.273 -3.402 0 C-N-CA 121.97 1.78 . . . . 16.66 110.874 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -74.19 -38.99 63.47 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 108.616 -0.883 . . . . 50.0 108.616 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 1.143 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -86.85 -48.08 8.49 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.292 -0.867 . . . . 16.66 110.757 179.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.419 ' CB ' ' O ' ' A' ' 53' ' ' CYS . 31.5 tt0 -54.27 -31.09 52.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.352 -0.385 . . . . 50.0 111.047 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.7 t -48.26 -36.76 14.61 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.664 -0.414 . . . . 50.0 110.286 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 48.5 p -70.09 -37.18 75.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.413 . . . . 50.0 110.374 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.561 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 96.9 mt-10 -65.19 -33.08 75.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.307 -0.406 . . . . 50.0 110.595 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.561 ' OD1' ' O ' ' A' ' 60' ' ' GLU . 35.1 p30 31.0 41.82 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.019 -0.537 . . . . 50.0 111.293 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . . . . . . 0 C--O 1.218 -0.567 0 CA-C-O 118.032 -0.985 . . . . 50.0 110.636 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.602 ' HB2' ' CA ' ' A' ' 50' ' ' GLU . . . . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.58 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 93.1 mtm-85 -86.55 56.74 4.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.365 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.905 HG21 ' O ' ' A' ' 45' ' ' ALA . 24.5 m -62.26 130.17 44.1 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.351 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' M3L . . . . . 0.902 HM12 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.59 178.32 6.4 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.028 0.442 . . . . 0.0 111.537 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 6.6 t -131.52 158.85 39.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.732 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -150.1 37.1 0.69 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.382 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 26.0 ttp-105 -55.63 -35.29 65.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.012 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -56.54 -36.45 69.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.066 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 53.7 p -81.4 149.17 28.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.72 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -97.6 -70.27 0.73 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.477 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.32 101.11 0.15 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.45 133.51 12.55 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -59.89 -35.64 75.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.894 0.378 . . . . 0.0 110.554 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.465 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . 0.46 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.419 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 109.561 -1.416 . . . . 0.0 109.561 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 18.7 Cg_endo -60.43 138.51 81.09 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.608 2.205 . . . . 0.0 112.032 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 81.8 mt -122.06 -113.72 0.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.314 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.8 38.35 1.72 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.929 -0.868 . . . . 50.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.514 ' O ' ' OD2' ' A' ' 6' ' ' ASP . 35.9 m -58.65 -40.01 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.107 -0.237 . . . . 50.0 110.935 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.514 ' OD2' ' O ' ' A' ' 5' ' ' SER . 74.1 m-20 -156.39 -14.1 0.1 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.599 -0.273 . . . . 50.0 111.216 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.406 ' H ' ' H ' ' A' ' 6' ' ' ASP . 22.6 p -122.6 166.1 15.39 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.661 0.267 . . . . 50.0 110.774 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.99 -177.34 3.91 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.216 0.531 . . . . 50.0 111.564 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.918 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -121.54 -170.77 2.09 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.341 -0.845 . . . . 50.0 110.67 -179.682 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.738 ' N ' HD22 ' A' ' 9' ' ' LEU . 2.2 m-85 -53.05 -124.09 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 -177.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 1.4 t -33.14 126.52 0.34 Allowed 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 114.035 -1.438 . . . . 16.66 113.578 -177.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.694 HG23 ' CD1' ' A' ' 33' ' ' TYR . 27.1 pt -52.79 -6.91 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 CA-C-N 112.234 -2.257 . . . . 50.0 109.106 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.009 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER -90.42 7.92 36.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.199 -1.364 . . . . 16.66 109.27 179.427 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' CYS . 7.9 ptmm? 50.68 70.97 0.46 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 114.566 -1.197 . . . . 25.0 114.219 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.543 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 1.5 p -147.68 122.12 5.03 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 116.703 -0.226 . . . . 50.0 110.688 177.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -48.75 -174.82 0.0 OUTLIER 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 123.272 2.648 . . . . 50.0 112.732 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.759 ' CE2' HM23 ' B' ' 4' ' ' M3L . 0.8 OUTLIER -77.58 130.77 37.33 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-O 121.522 0.677 . . . . 50.0 110.868 -179.478 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.751 ' C ' ' H ' ' A' ' 20' ' ' SER . 85.4 m-20 -141.04 116.95 10.44 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.757 -1.11 . . . . 50.0 108.384 177.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -57.7 8.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.447 -0.575 . . . . 50.0 109.447 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.751 ' H ' ' C ' ' A' ' 18' ' ' ASP . 49.6 m -102.95 -3.64 25.83 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 107.211 -1.403 . . . . 50.0 107.211 178.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.913 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 5.9 tptt -127.15 131.03 50.83 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 113.326 -1.761 . . . . 50.0 107.299 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 46.7 p90 -110.66 136.89 49.06 Favored 'General case' 0 CA--C 1.496 -1.101 0 CA-C-O 121.937 0.875 . . . . 16.66 110.928 -179.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.688 ' HB2' ' HB2' ' B' ' 4' ' ' M3L . 43.2 m-85 -111.31 174.47 5.85 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 116.462 2.023 . . . . 50.0 116.462 -175.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.018 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.19 134.51 16.06 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 CA-C-N 109.351 -3.568 . . . . 16.66 106.176 176.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -97.46 122.62 7.52 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 120.803 -0.713 . . . . 16.66 114.13 -177.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.316 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 4.7 t -51.61 125.31 14.38 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 108.853 -0.795 . . . . 16.66 108.853 177.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.543 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 60.6 t0 -60.62 -37.75 82.46 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.047 -0.661 . . . . 25.0 110.256 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.8 ttm-85 -103.04 -29.89 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.947 -0.57 . . . . 50.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.316 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -88.2 0.12 56.45 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.102 0.477 . . . . 16.66 110.295 -178.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 4.8 pt20 30.68 34.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.255 -0.884 . . . . 16.66 112.218 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 29' ' ' CYS . 21.2 p30 -133.49 170.59 15.28 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 120.511 -0.476 . . . . 50.0 110.989 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.976 ' CD1' HM12 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -123.82 151.18 43.66 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 116.622 2.082 . . . . 16.66 116.622 -173.53 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.716 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -139.12 158.52 44.04 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 113.589 -1.641 . . . . 50.0 108.909 173.488 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.913 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -71.5 140.37 49.93 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 106.121 -1.807 . . . . 16.66 106.121 176.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.544 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -43.14 -46.11 6.38 Favored Glycine 0 C--N 1.308 -1.005 0 C-N-CA 119.607 -1.282 . . . . 16.66 111.476 -178.167 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.419 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -79.88 -20.31 46.17 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.597 -0.519 . . . . 50.0 109.597 179.192 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 1.14 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER -51.78 -27.01 10.87 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.893 -0.723 . . . . 16.66 109.102 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.4 m -123.39 10.49 5.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.212 -0.904 . . . . 16.66 110.653 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.36 45.81 36.54 Favored Glycine 0 CA--C 1.521 0.45 0 CA-C-N 115.431 -0.804 . . . . 16.66 112.562 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.544 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -109.7 167.59 4.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.643 -0.423 . . . . 16.66 110.942 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.0 mp -60.2 164.62 4.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 50.0 110.232 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.28 -55.54 5.17 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.591 -178.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.637 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 74.9 m -70.19 -15.95 63.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.384 -0.825 . . . . 50.0 109.245 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.752 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -41.14 -20.1 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.159 -0.928 . . . . 50.0 111.049 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.734 ' O ' HG21 ' B' ' 3' ' ' THR . . . -74.79 -47.36 31.23 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 120.55 -0.46 . . . . 25.0 111.147 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' HE22 ' B' ' 5' ' ' GLN . 86.0 tt0 -86.86 -44.51 11.64 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.89 1.07 . . . . 50.0 113.89 -178.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.028 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -55.35 -24.48 29.66 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.036 0.384 . . . . 16.66 112.036 -178.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.028 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -85.87 171.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.589 0.709 . . . . 25.0 109.984 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 49' ' ' ASP . 56.9 t0 -161.35 12.76 0.09 Allowed 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 114.642 -1.163 . . . . 50.0 109.115 -178.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -158.28 41.12 0.26 Allowed 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 105.804 -1.924 . . . . 50.0 105.804 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.716 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 63.4 t80 -66.24 146.55 54.48 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 114.418 -1.265 . . . . 16.66 112.063 -177.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.716 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 20.0 t -137.18 156.8 34.45 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 CA-C-N 113.124 -1.853 . . . . 50.0 109.035 178.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.234 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 1.6 p -79.25 162.47 63.87 Favored Pre-proline 0 N--CA 1.417 -2.109 0 N-CA-C 108.539 -0.911 . . . . 16.66 108.539 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 17.3 Cg_endo -82.73 -28.84 1.55 Allowed 'Trans proline' 0 C--N 1.277 -3.186 0 C-N-CA 121.672 1.581 . . . . 16.66 111.399 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.401 ' HA ' HE21 ' A' ' 55' ' ' GLN . 1.4 mm-40 -76.08 -28.33 57.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.558 -0.746 . . . . 50.0 109.03 177.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.967 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 15.5 m -63.98 -35.65 81.39 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.573 -0.74 . . . . 16.66 109.894 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -55.06 -32.81 62.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.705 -0.679 . . . . 50.0 110.38 -179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.8 t -58.29 -29.09 65.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.931 -0.577 . . . . 50.0 110.711 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -125.7 2.57 7.5 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 111.867 0.321 . . . . 50.0 111.867 -179.164 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' CYS . 4.9 mm-40 -38.81 103.11 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.985 0.421 . . . . 50.0 110.804 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 58.1 t0 -57.13 -37.04 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.786 -0.643 . . . . 50.0 110.51 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.45 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.13 -0.938 . . . . 50.0 110.484 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.543 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 23.3 mtm180 -95.47 48.87 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.79 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.734 HG21 ' O ' ' A' ' 45' ' ' ALA . 17.2 m -61.85 133.33 55.33 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' M3L . . . . . 0.976 HM12 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.372 . . . . 0.0 110.226 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.648 HE21 ' HB1' ' A' ' 45' ' ' ALA . 80.0 mt-30 -128.2 167.89 16.22 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.993 -179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.444 ' O ' ' C ' ' B' ' 7' ' ' ALA . 1.6 t -74.44 165.84 24.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.771 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' B' ' 6' ' ' THR . . . 34.06 63.24 0.42 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.52 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' B' ' 8' ' ' ARG . 56.8 mtm180 -57.1 -48.29 78.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.565 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -149.96 153.57 36.82 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.749 0.309 . . . . 0.0 110.992 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.578 ' C ' ' H ' ' B' ' 12' ' ' GLY . 27.7 t -144.52 143.26 30.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.514 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 57.56 -2.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.869 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.578 ' H ' ' C ' ' B' ' 10' ' ' SER . . . 66.58 -134.4 32.9 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.24 -158.93 38.6 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.643 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 26.6 mtmm 63.12 49.32 3.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.741 0.305 . . . . 0.0 110.643 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' B' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.564 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.421 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.493 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.493 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 19.6 Cg_endo -59.78 140.4 93.1 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.76 2.307 . . . . 0.0 111.958 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.853 HD22 ' N ' ' A' ' 3' ' ' LEU . 1.5 mm? -90.29 2.21 55.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.69 169.62 23.1 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.052 -0.819 . . . . 50.0 111.052 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -151.93 -118.27 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.785 0.326 . . . . 50.0 110.639 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.527 ' OD1' HG23 ' A' ' 7' ' ' THR . 32.8 p-10 -61.14 -35.17 76.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 50.0 110.844 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.527 HG23 ' OD1' ' A' ' 6' ' ' ASP . 44.2 p -82.7 162.65 21.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.433 -0.349 . . . . 50.0 110.368 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -92.84 -178.4 4.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.128 0.49 . . . . 50.0 110.8 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.6 mt -107.56 162.83 13.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.603 -0.726 . . . . 50.0 111.254 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.543 ' CD1' ' HD1' ' A' ' 32' ' ' TRP . 19.2 m-85 -114.86 -93.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.73 -0.668 . . . . 25.0 111.221 -178.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.958 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 8.1 t -36.24 134.92 0.39 Allowed 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.974 0.892 . . . . 16.66 111.964 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.703 HG22 ' NE2' ' A' ' 55' ' ' GLN . 16.6 pt -51.1 -7.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 CA-C-N 113.852 -1.522 . . . . 50.0 108.156 178.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.958 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -85.72 -25.12 26.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 113.554 -1.657 . . . . 16.66 110.852 -179.572 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.592 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 21.1 mttp 83.31 78.89 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.212 0.449 . . . . 25.0 112.212 179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.549 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 43.2 p -148.67 148.54 28.36 Favored Pre-proline 0 N--CA 1.468 0.471 0 C-N-CA 121.126 -0.23 . . . . 50.0 111.479 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -70.18 168.63 21.57 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.965 2.444 . . . . 50.0 111.64 179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.771 ' CE1' HM13 ' B' ' 4' ' ' M3L . 1.1 t80 -72.21 118.82 15.56 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 120.372 -0.531 . . . . 50.0 110.908 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.724 ' C ' ' H ' ' A' ' 20' ' ' SER . 0.5 OUTLIER -121.36 120.61 35.54 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.873 -0.788 . . . . 50.0 108.873 178.025 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.6 5.52 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.897 -0.779 . . . . 50.0 108.897 179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.724 ' H ' ' C ' ' A' ' 18' ' ' ASP . 37.2 m -103.19 -14.83 16.21 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 114.83 -1.077 . . . . 50.0 108.183 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.673 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -106.29 130.42 54.14 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 106.805 -1.554 . . . . 50.0 106.805 179.118 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 36.9 p90 -107.97 148.9 29.05 Favored 'General case' 0 CA--C 1.493 -1.229 0 N-CA-C 108.566 -0.901 . . . . 16.66 108.566 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.905 ' HB2' ' HB2' ' B' ' 4' ' ' M3L . 14.8 m-85 -126.99 175.49 8.04 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-O 124.385 2.04 . . . . 50.0 115.605 -175.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.024 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -143.69 128.95 15.3 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.509 0 CA-C-N 109.124 -3.671 . . . . 16.66 105.982 177.524 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.503 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -94.02 123.64 7.55 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.313 -0.946 . . . . 16.66 114.134 -177.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.473 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.6 OUTLIER -48.42 108.89 0.19 Allowed 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 107.283 -1.377 . . . . 16.66 107.283 176.235 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.518 ' HA ' HH12 ' B' ' 2' ' ' ARG . 90.9 m-20 -63.48 -36.43 83.74 Favored 'General case' 0 CA--C 1.498 -1.037 0 CA-C-O 122.18 0.991 . . . . 25.0 108.458 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.753 ' HE ' HG23 ' A' ' 59' ' ' THR . 28.8 ttt85 -94.34 -37.82 11.29 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 113.594 -1.639 . . . . 50.0 111.014 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.327 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -84.04 -28.33 27.71 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 119.882 -0.727 . . . . 16.66 110.988 -178.87 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.808 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 79.04 21.48 0.67 Allowed 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.79 1.033 . . . . 16.66 113.79 178.163 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.619 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 26.9 p30 -135.01 170.03 16.53 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 119.23 0.923 . . . . 50.0 112.419 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.828 ' CB ' HM23 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -116.15 147.6 41.21 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 116.145 1.906 . . . . 16.66 116.145 -175.154 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.681 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -139.05 162.14 35.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.017 -0.992 . . . . 50.0 109.653 173.796 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.673 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -70.89 139.0 50.63 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 106.143 -1.799 . . . . 16.66 106.143 176.715 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.2 -47.76 5.48 Favored Glycine 0 C--N 1.306 -1.099 0 C-N-CA 119.627 -1.273 . . . . 16.66 111.627 -177.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.409 ' HG3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -79.12 -18.01 54.02 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.123 -0.631 . . . . 50.0 109.727 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.958 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 5.6 t -50.43 -30.67 13.09 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 119.38 -0.928 . . . . 16.66 108.668 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.7 m -116.66 15.02 7.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 114.92 -1.037 . . . . 16.66 110.881 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.22 45.82 59.97 Favored Glycine 0 N--CA 1.461 0.304 0 CA-C-N 115.795 -0.639 . . . . 16.66 111.965 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.502 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -112.32 167.69 5.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.084 0.468 . . . . 16.66 110.967 -179.403 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.493 ' N ' HG23 ' A' ' 40' ' ' ILE . 35.1 mt -62.57 165.81 5.94 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 115.622 -0.717 . . . . 50.0 110.49 179.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.407 ' CA ' HE21 ' A' ' 42' ' ' GLN . 0.5 OUTLIER -79.63 -55.23 5.17 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.468 -0.787 . . . . 25.0 110.358 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.584 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 75.7 m -67.33 -16.29 64.17 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.292 -0.867 . . . . 50.0 109.094 179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.776 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -42.46 -20.89 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 115.497 -0.774 . . . . 50.0 110.409 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.904 ' O ' HG21 ' B' ' 3' ' ' THR . . . -70.5 -46.52 63.54 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.923 -0.58 . . . . 25.0 110.871 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' HA ' HE22 ' B' ' 5' ' ' GLN . 13.0 pm0 -89.85 -42.61 11.14 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.604 1.335 . . . . 50.0 114.604 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.069 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -56.4 -27.08 55.31 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 113.445 0.906 . . . . 16.66 113.445 -176.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.069 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.1 pp -85.47 172.27 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.71 0.767 . . . . 25.0 110.418 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.499 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 54.7 t0 -160.97 17.73 0.12 Allowed 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.326 -1.307 . . . . 50.0 108.969 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -162.28 35.29 0.12 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 114.034 -1.439 . . . . 50.0 107.236 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.637 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 17.2 t80 -66.22 145.71 55.45 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 115.061 -0.972 . . . . 16.66 111.201 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.637 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 16.1 t -135.6 157.57 39.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.184 0 CA-C-N 113.717 -1.583 . . . . 50.0 108.565 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.473 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.8 p -79.87 158.88 72.29 Favored Pre-proline 0 N--CA 1.411 -2.391 0 CA-C-O 121.321 0.582 . . . . 16.66 109.57 -179.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.474 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 18.9 Cg_endo -81.66 -25.33 3.72 Favored 'Trans proline' 0 C--N 1.275 -3.313 0 C-N-CA 121.95 1.767 . . . . 16.66 110.759 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.703 ' NE2' HG22 ' A' ' 12' ' ' ILE . 98.5 mt-30 -70.81 -35.7 72.63 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.201 -1.037 . . . . 50.0 108.201 177.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -69.05 -39.93 78.85 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.999 -1.0 . . . . 16.66 109.691 179.099 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -56.27 -21.0 21.06 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.121 -0.491 . . . . 50.0 110.406 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.9 t -51.92 -27.57 13.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.168 -0.469 . . . . 50.0 110.257 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.753 HG23 ' HE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -130.08 -19.25 3.23 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 111.996 0.369 . . . . 50.0 111.996 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.523 ' O ' ' CZ ' ' A' ' 28' ' ' ARG . 98.1 mt-10 42.16 -164.61 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.509 -0.476 . . . . 50.0 110.323 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -53.28 -36.84 61.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.393 -0.367 . . . . 50.0 110.131 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.012 -0.994 . . . . 50.0 110.396 179.845 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.499 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.652 HH22 ' N ' ' A' ' 26' ' ' CYS . 13.8 ttp-105 -88.67 33.51 0.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.742 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.904 HG21 ' O ' ' A' ' 45' ' ' ALA . 20.3 m -58.38 137.49 57.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.009 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' M3L . . . . . 0.905 ' HB2' ' HB2' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.496 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.568 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 12.4 pt20 -111.13 160.14 17.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.302 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.5 p -126.83 168.37 14.55 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.865 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.25 149.5 5.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -89.82 92.23 8.95 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.068 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -63.73 -31.63 72.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.99 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' B' ' 11' ' ' THR . 87.8 p -57.83 -31.62 66.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.215 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' B' ' 10' ' ' SER . 1.1 m 83.27 164.29 0.12 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' B' ' 13' ' ' GLY . . . -57.78 -28.58 60.5 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' B' ' 12' ' ' GLY . . . -37.94 142.5 0.3 Allowed Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -133.57 163.01 30.36 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.834 0.349 . . . . 0.0 110.544 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.551 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.678 179.871 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . 0.459 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.85 -10.23 16.64 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.939 2.426 . . . . 0.0 111.92 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.7 mt -76.89 146.52 37.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.818 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.19 68.91 0.65 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.081 -0.807 . . . . 50.0 111.081 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 t -114.71 135.96 53.59 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.758 0.313 . . . . 50.0 110.54 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.453 ' OD2' ' C ' ' A' ' 6' ' ' ASP . 48.2 p30 -102.07 15.27 29.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.213 -0.449 . . . . 50.0 110.919 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 70.2 p -112.93 169.88 8.6 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.241 0.543 . . . . 50.0 111.171 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -70.28 -174.16 0.79 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.367 -0.833 . . . . 50.0 110.957 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.011 ' H ' HD12 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -60.25 175.21 0.44 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.515 -0.766 . . . . 50.0 111.137 -179.044 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.503 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 16.5 m-85 -67.93 -108.36 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.534 -0.757 . . . . 25.0 112.454 -178.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 1.127 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -35.63 131.28 0.51 Allowed 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 122.49 1.138 . . . . 16.66 112.391 -177.742 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.726 HG23 ' CD1' ' A' ' 33' ' ' TYR . 14.2 pt -47.78 -7.41 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 112.703 -2.044 . . . . 50.0 109.827 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.968 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.5 OUTLIER -90.14 12.38 18.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.861 -1.063 . . . . 16.66 109.785 179.116 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 11' ' ' CYS . 15.7 pttp 45.73 78.79 0.06 Allowed 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.369 -0.832 . . . . 25.0 113.22 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.527 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 2.9 p -149.33 144.97 18.49 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-N 116.501 -0.318 . . . . 50.0 110.948 178.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -70.66 170.41 17.72 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 123.013 2.475 . . . . 50.0 112.274 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.659 ' CZ ' ' CM1' ' B' ' 4' ' ' M3L . 0.8 OUTLIER -67.07 134.69 52.36 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.425 0.631 . . . . 50.0 110.565 -179.544 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.736 ' C ' ' H ' ' A' ' 20' ' ' SER . 62.1 m-20 -140.21 113.99 8.81 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.018 -0.992 . . . . 50.0 108.887 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -57.03 7.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.248 0.547 . . . . 50.0 109.999 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.736 ' H ' ' C ' ' A' ' 18' ' ' ASP . 25.2 m -107.05 1.02 24.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.079 -1.082 . . . . 50.0 108.079 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.91 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 1.6 tptm -125.74 132.09 52.41 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.009 -1.451 . . . . 50.0 108.118 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.535 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 41.9 p90 -105.83 146.91 29.28 Favored 'General case' 0 CA--C 1.496 -1.102 0 C-N-CA 120.008 -0.677 . . . . 16.66 110.18 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.882 ' CD2' HM22 ' B' ' 4' ' ' M3L . 51.9 m-85 -123.91 173.87 7.93 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 124.045 1.879 . . . . 50.0 115.972 -175.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.02 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -143.44 130.56 17.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 CA-C-N 109.833 -3.349 . . . . 16.66 106.389 176.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.54 124.31 7.56 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 120.316 -0.945 . . . . 16.66 113.92 -177.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.457 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.4 t -48.98 110.35 0.35 Allowed 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 108.078 -1.082 . . . . 16.66 108.078 176.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.633 ' HB3' HG22 ' A' ' 52' ' ' VAL . 58.0 t0 -62.65 -35.7 80.48 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-O 121.308 0.575 . . . . 25.0 110.02 -178.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.67 -25.15 13.66 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.109 -0.95 . . . . 50.0 110.299 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.331 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -91.17 -28.25 17.98 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 119.891 -0.724 . . . . 16.66 110.036 179.148 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.788 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 76.79 21.41 1.22 Allowed 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.303 0.853 . . . . 16.66 113.303 178.718 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.564 ' H ' ' CB ' ' A' ' 26' ' ' CYS . 26.0 p30 -135.03 172.07 13.53 Favored 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 118.972 0.805 . . . . 50.0 112.811 179.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.748 ' HB2' HM23 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -114.76 149.7 36.5 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 117.327 2.343 . . . . 16.66 117.327 -173.728 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.73 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -139.93 154.13 47.13 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.139 -1.391 . . . . 50.0 109.8 172.36 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.991 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 0.4 OUTLIER -67.53 141.59 56.83 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 105.303 -2.11 . . . . 16.66 105.303 176.155 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.544 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.37 -56.41 4.1 Favored Glycine 0 C--N 1.31 -0.899 0 C-N-CA 119.482 -1.342 . . . . 16.66 111.9 -177.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.485 ' HE ' ' HE2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -73.88 -18.14 60.96 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.155 -0.618 . . . . 50.0 110.038 179.528 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 1.127 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.8 t -50.51 -29.19 9.96 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.387 -0.968 . . . . 16.66 108.387 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.7 m -119.09 9.41 6.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 115.12 -0.945 . . . . 16.66 110.73 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.474 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 74.9 45.9 19.22 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 121.209 -0.519 . . . . 16.66 112.194 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.544 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -112.75 167.89 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.844 0.354 . . . . 16.66 110.825 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.58 HD22 ' N ' ' A' ' 41' ' ' LEU . 3.4 mm? -60.5 164.77 4.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.364 0.602 . . . . 50.0 110.346 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.1 -55.59 5.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.493 -0.776 . . . . 25.0 110.359 -179.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.582 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 58.1 m -70.03 -15.24 62.98 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.376 -0.829 . . . . 50.0 109.327 179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.741 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -41.8 -20.93 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 115.352 -0.84 . . . . 50.0 110.953 -178.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.741 ' O ' HG21 ' B' ' 3' ' ' THR . . . -71.53 -47.13 57.15 Favored 'General case' 0 C--N 1.311 -1.069 0 C-N-CA 120.639 -0.424 . . . . 25.0 110.82 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -88.24 -43.92 11.23 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.48 1.289 . . . . 50.0 114.48 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.041 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -55.5 -25.34 36.64 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.885 0.698 . . . . 16.66 112.885 -177.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.041 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.0 pp -85.62 172.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.683 0.754 . . . . 25.0 110.328 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.473 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 18.8 t70 -161.47 20.21 0.12 Allowed 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.319 -1.31 . . . . 50.0 109.086 -178.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' A' ' 50' ' ' GLU . 1.6 pp20? -166.16 35.04 0.05 OUTLIER 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 106.821 -1.548 . . . . 50.0 106.821 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.665 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 20.8 t80 -66.4 146.63 54.35 Favored 'General case' 0 CA--C 1.501 -0.935 0 CA-C-N 114.937 -1.028 . . . . 16.66 111.374 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.665 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 14.5 t -137.31 159.79 35.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 113.554 -1.657 . . . . 50.0 108.875 177.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.457 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.4 p -80.66 158.05 71.42 Favored Pre-proline 0 N--CA 1.416 -2.147 0 CA-C-O 121.355 0.598 . . . . 16.66 109.712 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 19.1 Cg_endo -82.18 -23.79 4.2 Favored 'Trans proline' 0 C--N 1.276 -3.274 0 C-N-CA 121.877 1.718 . . . . 16.66 110.905 -179.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -74.75 -37.48 62.47 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.878 -0.786 . . . . 50.0 108.878 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 1.142 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -82.27 -23.07 35.46 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.72 -0.673 . . . . 16.66 110.109 179.496 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -54.82 -39.23 68.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.376 . . . . 50.0 110.721 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.469 ' O ' ' OD2' ' A' ' 61' ' ' ASP . 22.9 t -59.73 -36.84 77.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.978 0.418 . . . . 50.0 110.293 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 37.1 m -64.25 -32.4 73.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.003 -0.544 . . . . 50.0 111.195 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.82 -33.48 68.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.293 -0.412 . . . . 50.0 111.578 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.47 ' OD2' ' C ' ' A' ' 61' ' ' ASP . 46.5 p30 -71.93 168.73 17.36 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.51 -0.476 . . . . 50.0 110.654 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.001 -0.999 . . . . 50.0 110.561 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.473 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.629 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 13.5 ptt-85 -95.65 62.35 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.216 0.531 . . . . 0.0 110.784 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.741 HG21 ' O ' ' A' ' 45' ' ' ALA . 31.4 m -71.02 142.1 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' M3L . . . . . 0.882 HM22 ' CD2' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.322 -0.617 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.227 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' B' ' 3' ' ' THR . 25.5 mp0 -98.12 163.31 12.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.712 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 15.1 t -129.47 151.47 50.07 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.813 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.83 156.4 37.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.287 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' B' ' 10' ' ' SER . 41.3 ttp180 -143.03 16.72 1.93 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.88 0.371 . . . . 0.0 110.537 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' B' ' 8' ' ' ARG . 10.2 ptpp? 37.81 31.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.424 ' N ' ' O ' ' B' ' 8' ' ' ARG . 13.1 t -145.81 -50.21 0.23 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.429 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.427 HG23 ' N ' ' B' ' 12' ' ' GLY . 10.0 t -65.31 -38.17 89.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.635 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.427 ' N ' HG23 ' B' ' 11' ' ' THR . . . -84.18 -178.06 51.49 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 84.61 15.27 68.65 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.2 tttm 63.56 49.3 3.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.007 0.432 . . . . 0.0 110.176 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.599 -179.942 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.388 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -53.51 139.61 65.61 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.788 2.325 . . . . 0.0 112.017 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 51.4 mt -104.33 141.59 36.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.402 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.04 106.49 0.19 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.205 -0.758 . . . . 50.0 111.205 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 p -81.18 -6.4 58.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 50.0 110.598 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -56.05 -37.86 69.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 50.0 110.709 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.7 p -87.09 161.76 17.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.343 -0.39 . . . . 50.0 110.79 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.33 102.05 8.03 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-N 116.002 -0.545 . . . . 50.0 110.54 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.489 ' HG ' ' N ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -144.86 -174.68 4.41 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.536 -0.866 . . . . 50.0 112.041 179.092 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 16.6 m-85 -89.72 -110.6 0.08 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.873 -1.058 . . . . 25.0 110.789 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 1.117 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -37.09 132.68 0.7 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-O 122.427 1.108 . . . . 16.66 111.868 -178.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.715 HG23 ' CD1' ' A' ' 33' ' ' TYR . 21.0 pt -46.15 -6.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 CA-C-N 112.721 -2.036 . . . . 50.0 110.202 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.98 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -85.26 -28.39 25.37 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.271 -0.877 . . . . 16.66 110.724 179.459 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.577 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 93.2 mttt 84.28 78.42 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.192 0.442 . . . . 25.0 112.192 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.598 HG22 ' NE2' ' A' ' 34' ' ' HIS . 0.5 OUTLIER -152.45 147.09 18.97 Favored Pre-proline 0 CA--C 1.544 0.737 0 C-N-CA 120.966 -0.294 . . . . 50.0 111.184 178.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HA ' HD11 ' A' ' 9' ' ' LEU . 18.8 Cg_endo -60.13 153.66 57.03 Favored 'Trans proline' 0 N--CA 1.504 2.135 0 C-N-CA 123.594 2.862 . . . . 50.0 112.509 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.742 ' CD1' HM21 ' B' ' 4' ' ' M3L . 1.8 t80 -67.69 124.06 22.22 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 121.04 0.448 . . . . 50.0 109.974 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.557 ' C ' ' H ' ' A' ' 20' ' ' SER . 63.5 t0 -133.86 133.36 41.44 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.59 -0.732 . . . . 50.0 110.232 179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.18 1.53 0.46 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.669 -0.696 . . . . 50.0 109.179 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.557 ' H ' ' C ' ' A' ' 18' ' ' ASP . 73.2 m -96.81 -7.62 33.18 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 107.791 -1.189 . . . . 50.0 107.791 178.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.862 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 5.4 tptp -123.55 131.41 53.62 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 113.451 -1.704 . . . . 50.0 107.224 179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 44.6 p90 -109.6 138.99 45.16 Favored 'General case' 0 CA--C 1.495 -1.136 0 C-N-CA 119.818 -0.753 . . . . 16.66 110.478 -179.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.924 ' CG ' HM23 ' B' ' 4' ' ' M3L . 12.1 m-85 -116.27 173.97 6.3 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-O 123.901 1.81 . . . . 50.0 115.294 -176.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.033 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -145.59 133.17 15.73 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.335 0 CA-C-N 110.074 -3.239 . . . . 16.66 107.203 178.125 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -92.76 127.31 8.93 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 120.568 -0.825 . . . . 16.66 113.929 -178.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.316 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 7.9 t -58.4 114.31 2.38 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.67 0.788 . . . . 16.66 108.927 177.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.577 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 59.3 t0 -50.86 -34.4 27.91 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.335 -0.546 . . . . 25.0 110.83 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.653 ' NH2' HG21 ' A' ' 59' ' ' THR . 0.5 OUTLIER -106.5 -35.26 7.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.493 -0.321 . . . . 50.0 110.765 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.316 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -83.43 -0.12 48.63 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.105 0.478 . . . . 16.66 110.39 -178.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 29' ' ' CYS . 4.2 pt20 33.21 33.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.964 -1.016 . . . . 16.66 112.948 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.474 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 20.6 p30 -133.34 169.83 16.35 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 120.279 -0.568 . . . . 50.0 110.899 178.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.701 ' CD1' ' CM3' ' B' ' 4' ' ' M3L . 0.0 OUTLIER -121.93 149.11 43.9 Favored 'General case' 0 CA--C 1.512 -0.481 0 N-CA-C 116.172 1.915 . . . . 16.66 116.172 -174.448 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.747 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -135.62 158.22 44.92 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.713 -1.13 . . . . 50.0 110.014 173.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.953 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 1.4 m80 -70.31 138.95 51.94 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 105.577 -2.009 . . . . 16.66 105.577 176.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.502 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -45.5 -42.39 9.89 Favored Glycine 0 C--N 1.303 -1.263 0 C-N-CA 119.126 -1.511 . . . . 16.66 111.157 -178.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.48 ' CD ' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -80.52 -20.61 43.16 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.299 -0.561 . . . . 50.0 109.568 179.069 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 1.117 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.5 OUTLIER -53.61 -25.71 18.76 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.744 -0.835 . . . . 16.66 108.744 179.613 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.3 m -125.57 9.42 4.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.225 -0.898 . . . . 16.66 111.132 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.21 45.98 37.07 Favored Glycine 0 N--CA 1.462 0.419 0 CA-C-N 115.998 -0.546 . . . . 16.66 112.497 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.503 HG12 ' OE1' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -108.15 166.91 4.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 110.238 -0.282 . . . . 16.66 110.238 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.756 ' N ' ' OE1' ' A' ' 44' ' ' GLU . 9.3 mp -60.37 164.43 4.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.219 0.533 . . . . 50.0 109.867 178.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -78.47 -56.18 4.64 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.442 -0.799 . . . . 25.0 111.166 -178.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.579 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 73.5 m -71.43 -15.41 62.34 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.708 . . . . 50.0 109.277 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.784 ' HA ' HD11 ' A' ' 47' ' ' LEU . 2.5 tt0 -42.97 -19.4 0.02 OUTLIER 'General case' 0 CA--C 1.509 -0.62 0 CA-C-N 115.467 -0.788 . . . . 50.0 111.105 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.765 ' O ' HG21 ' B' ' 3' ' ' THR . . . -68.6 -50.1 54.19 Favored 'General case' 0 C--N 1.314 -0.971 0 C-N-CA 120.529 -0.468 . . . . 25.0 110.959 179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -87.8 -44.43 11.12 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.417 1.265 . . . . 50.0 114.417 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.081 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -55.04 -23.97 22.57 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.528 0.566 . . . . 16.66 112.528 -177.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.081 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -85.8 171.82 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.504 0.668 . . . . 25.0 110.102 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.417 ' H ' ' H ' ' A' ' 50' ' ' GLU . 22.0 t70 -161.1 8.54 0.08 Allowed 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 114.67 -1.15 . . . . 50.0 109.456 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.417 ' H ' ' H ' ' A' ' 49' ' ' ASP . 21.4 pt-20 -149.69 36.15 0.71 Allowed 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 106.564 -1.643 . . . . 50.0 106.564 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.648 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 55.9 t80 -66.97 145.57 55.28 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 114.536 -1.211 . . . . 16.66 112.495 -177.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.648 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 9.2 t -138.51 157.72 30.69 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 CA-C-N 113.137 -1.847 . . . . 50.0 108.643 177.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.305 ' CB ' ' HG ' ' A' ' 26' ' ' CYS . 1.4 p -75.61 160.52 79.08 Favored Pre-proline 0 N--CA 1.413 -2.303 0 N-CA-C 108.356 -0.979 . . . . 16.66 108.356 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 26.4 Cg_endo -81.17 -25.19 4.12 Favored 'Trans proline' 0 C--N 1.275 -3.321 0 C-N-CA 121.735 1.623 . . . . 16.66 111.577 -178.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -78.84 -29.11 44.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.249 -1.019 . . . . 50.0 108.249 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 1.044 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 38.4 m -62.43 -37.12 84.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.351 -1.295 . . . . 16.66 110.314 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.424 HE21 ' HA ' ' A' ' 54' ' ' PRO . 61.1 mt-30 -60.1 -28.74 68.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.681 -0.691 . . . . 50.0 111.583 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.0 t -56.48 -37.36 70.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.301 -0.409 . . . . 50.0 111.825 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.653 HG21 ' NH2' ' A' ' 28' ' ' ARG . 1.1 p -107.29 -47.31 3.69 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.096 0.406 . . . . 50.0 112.096 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' O ' ' O ' ' A' ' 59' ' ' THR . 66.1 mm-40 58.09 132.9 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.026 0.441 . . . . 50.0 110.821 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 54.91 45.62 26.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.051 -0.522 . . . . 50.0 110.685 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.003 -0.999 . . . . 50.0 110.555 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.577 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 4.4 ptt85 -92.95 71.53 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.22 0.533 . . . . 0.0 110.071 179.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.765 HG21 ' O ' ' A' ' 45' ' ' ALA . 17.3 m -69.77 140.64 53.41 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' M3L . . . . . 0.924 HM23 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.323 -0.58 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' B' ' 3' ' ' THR . 0.7 OUTLIER -134.11 169.42 17.18 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 120.961 0.41 . . . . 0.0 111.388 -178.785 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.467 ' O ' ' O ' ' B' ' 7' ' ' ALA . 6.1 t -78.67 14.2 1.39 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.384 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.467 ' O ' ' O ' ' B' ' 6' ' ' THR . . . 57.4 134.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.203 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -133.15 72.65 1.49 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.399 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -58.36 -29.5 66.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.698 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 87.4 p -53.68 -28.41 33.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.758 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 40.3 m -78.56 135.36 37.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.476 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.77 -172.66 42.48 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.22 -174.74 30.4 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 50.1 tttp 62.59 56.23 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.343 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.564 -179.889 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.454 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.89 -20.37 59.4 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.778 2.319 . . . . 0.0 111.928 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.8 tp -55.81 -38.73 70.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' O ' ' OG ' ' A' ' 5' ' ' SER . . . 169.97 -179.85 42.03 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.884 -0.886 . . . . 50.0 110.884 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' A' ' 4' ' ' GLY . 2.9 m 174.87 92.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.746 0.308 . . . . 50.0 110.477 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' C ' ' OD2' ' A' ' 6' ' ' ASP . 52.7 p30 -88.7 7.08 35.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 50.0 110.59 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.8 p -83.98 162.89 20.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 50.0 110.678 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.504 ' CE ' ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -91.72 -176.21 4.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 50.0 110.387 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.504 ' O ' ' CE ' ' A' ' 8' ' ' LYS . 45.5 mt -61.84 167.33 3.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.453 0.644 . . . . 50.0 111.782 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 10.4 m-85 -86.34 -110.11 0.05 Allowed 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.502 -0.772 . . . . 25.0 110.952 -179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 1.083 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -37.93 132.45 0.96 Allowed 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 122.318 1.056 . . . . 16.66 111.747 -178.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.76 HG23 ' CD1' ' A' ' 33' ' ' TYR . 19.6 pt -47.79 -6.33 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 CA-C-N 113.05 -1.886 . . . . 50.0 110.205 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.015 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -81.26 -27.45 35.16 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.169 -0.923 . . . . 16.66 110.652 179.444 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.574 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 22.9 mtmm 85.95 78.78 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 112.853 0.686 . . . . 25.0 112.853 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.483 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 19.5 p -156.03 148.62 17.89 Favored Pre-proline 0 N--CA 1.468 0.433 0 CA-C-O 120.629 0.252 . . . . 50.0 110.96 178.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -68.07 166.4 25.01 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 123.114 2.542 . . . . 50.0 112.166 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.775 ' CE1' HM13 ' B' ' 4' ' ' M3L . 0.9 OUTLIER -65.14 135.75 55.86 Favored 'General case' 0 CA--C 1.509 -0.6 0 CA-C-O 121.397 0.618 . . . . 50.0 110.496 -179.353 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.73 ' C ' ' H ' ' A' ' 20' ' ' SER . 83.8 m-20 -139.4 114.51 9.58 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 114.825 -1.079 . . . . 50.0 108.761 178.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -55.99 4.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.206 0.526 . . . . 50.0 109.637 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.73 ' H ' ' C ' ' A' ' 18' ' ' ASP . 15.1 m -102.38 -6.19 23.29 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 108.633 -0.877 . . . . 50.0 108.633 178.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.74 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 2.4 tptm -120.08 134.12 55.34 Favored 'General case' 0 CA--C 1.501 -0.91 0 CA-C-N 114.71 -1.132 . . . . 50.0 108.277 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.714 ' CZ ' ' NE2' ' A' ' 42' ' ' GLN . 51.3 p90 -109.47 141.25 42.18 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.751 -0.658 . . . . 16.66 109.671 -179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.878 ' HB2' ' HB2' ' B' ' 4' ' ' M3L . 7.0 m-85 -119.01 175.66 5.66 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 123.939 1.828 . . . . 50.0 114.851 -176.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.11 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -142.9 122.57 9.27 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 CA-C-N 110.153 -3.203 . . . . 16.66 108.012 178.227 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -93.22 120.5 6.24 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 110.727 -0.949 . . . . 16.66 110.727 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.373 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -82.25 113.99 20.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.802 0.811 . . . . 16.66 110.0 -179.365 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.594 ' N ' ' HE ' ' B' ' 2' ' ' ARG . 93.2 m-20 -39.21 -39.4 0.61 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.179 -1.373 . . . . 25.0 114.005 -176.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.654 ' N ' ' HD2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -102.59 -9.51 20.07 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.285 -0.566 . . . . 50.0 110.689 -179.069 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.44 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -100.6 -3.48 30.4 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.802 -0.814 . . . . 16.66 108.802 179.714 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.595 ' C ' HH22 ' B' ' 2' ' ' ARG . 0.1 OUTLIER 37.31 16.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.251 -1.341 . . . . 16.66 113.653 177.331 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.846 ' H ' HD22 ' A' ' 31' ' ' ASN . 0.0 OUTLIER -134.17 168.88 18.05 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 119.175 -1.01 . . . . 50.0 112.283 -179.854 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.827 ' CB ' HM23 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -115.29 143.74 44.81 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 114.731 1.382 . . . . 16.66 114.731 -175.126 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.796 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -130.47 148.91 52.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.895 -0.593 . . . . 50.0 111.011 175.504 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 1.043 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -62.79 141.44 58.62 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 104.869 -2.271 . . . . 16.66 104.869 175.496 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.517 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.01 -59.47 2.91 Favored Glycine 0 C--N 1.31 -0.894 0 C-N-CA 119.491 -1.337 . . . . 16.66 111.862 -177.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.433 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.1 OUTLIER -69.34 -19.97 63.86 Favored 'General case' 0 C--N 1.316 -0.864 0 C-N-CA 120.498 -0.481 . . . . 50.0 110.56 179.797 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 1.083 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.2 t -50.72 -30.87 14.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 119.555 -0.858 . . . . 16.66 108.927 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.6 m -116.87 10.89 7.35 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.298 -0.864 . . . . 16.66 110.753 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 74.13 45.53 25.26 Favored Glycine 0 CA--C 1.518 0.251 0 CA-C-N 115.8 -0.637 . . . . 16.66 112.176 178.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.517 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -114.59 167.12 7.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.139 0.495 . . . . 16.66 111.037 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.55 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 76.4 mt -65.08 165.87 10.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.435 -0.802 . . . . 50.0 111.36 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.807 ' C ' HE21 ' A' ' 42' ' ' GLN . 0.7 OUTLIER -79.09 -56.49 4.33 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.91 -1.041 . . . . 25.0 109.944 -179.712 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.67 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 41.6 m -59.11 -27.89 66.01 Favored 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 115.168 -0.924 . . . . 50.0 109.026 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.857 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -42.1 -19.15 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 114.698 -1.137 . . . . 50.0 111.315 -177.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.936 ' O ' HG21 ' B' ' 3' ' ' THR . . . -69.06 -54.06 17.06 Favored 'General case' 0 C--N 1.31 -1.119 0 C-N-CA 120.227 -0.589 . . . . 25.0 110.337 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' HA ' HE22 ' B' ' 5' ' ' GLN . 85.1 tt0 -88.4 -43.4 11.52 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 115.017 1.488 . . . . 50.0 115.017 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.11 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.5 pp -55.57 -26.14 41.87 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 113.331 0.863 . . . . 16.66 113.331 -176.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.11 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.4 pp -85.48 171.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.775 0.797 . . . . 25.0 110.109 -179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' B' ' 1' ' ' ALA . 51.1 t0 -160.81 10.46 0.09 Allowed 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 114.346 -1.297 . . . . 50.0 108.923 -178.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -151.42 35.27 0.57 Allowed 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 113.974 -1.466 . . . . 50.0 107.263 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.704 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 21.8 t80 -66.79 148.47 51.89 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.181 -0.918 . . . . 16.66 111.298 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.704 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 13.1 t -137.96 159.49 33.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-N 114.083 -1.417 . . . . 50.0 110.561 178.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.44 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -72.57 163.16 69.95 Favored Pre-proline 0 CA--C 1.481 -1.678 0 N-CA-C 108.458 -0.942 . . . . 16.66 108.458 -179.487 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -82.33 -23.98 3.98 Favored 'Trans proline' 0 C--N 1.262 -3.996 0 C-N-CA 121.348 1.366 . . . . 16.66 109.313 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' O ' ' OG1' ' A' ' 59' ' ' THR . 99.6 mm-40 -88.86 -57.99 2.71 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.763 -1.108 . . . . 50.0 110.751 177.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 1.301 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 27.5 p -68.22 -17.14 64.24 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.12 0.785 . . . . 16.66 113.12 -178.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.618 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 48.1 tt0 -54.26 -42.41 69.92 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.039 -0.664 . . . . 50.0 110.642 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.5 t -110.6 -45.0 3.57 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.518 -0.31 . . . . 50.0 111.16 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 55' ' ' GLN . 34.5 p -70.31 -18.16 63.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.44 -0.345 . . . . 50.0 110.867 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 43.25 -150.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.422 -0.353 . . . . 50.0 110.402 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -54.7 -37.15 65.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.424 -0.353 . . . . 50.0 110.473 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.03 -0.986 . . . . 50.0 110.647 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.544 ' N ' ' OD1' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.813 HH22 ' N ' ' A' ' 31' ' ' ASN . 31.8 ptt85 -86.04 43.21 1.03 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.149 0.5 . . . . 0.0 110.36 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.936 HG21 ' O ' ' A' ' 45' ' ' ALA . 18.5 m -54.37 138.98 38.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.142 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' M3L . . . . . 0.878 ' HB2' ' HB2' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 108.569 -0.901 . . . . 0.0 108.569 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.508 HE22 ' HA ' ' A' ' 46' ' ' GLU . 10.2 pt20 -110.3 166.38 11.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.278 0.561 . . . . 0.0 111.837 -177.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 42.3 p -121.61 157.27 31.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.212 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.54 141.59 50.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.872 0.368 . . . . 0.0 110.779 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -133.83 161.0 35.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.714 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 42.4 mtpt -64.78 174.48 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.771 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 72.7 m 60.41 65.8 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.763 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 7.4 t -135.09 157.6 46.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.432 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.48 -75.87 0.18 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.07 47.28 9.41 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.563 ' H ' ' HD2' ' B' ' 14' ' ' LYS . 1.0 OUTLIER -56.69 -35.46 68.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.778 0.323 . . . . 0.0 110.313 -179.663 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.509 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . 0.51 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.412 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -53.38 144.83 48.29 Favored 'Trans proline' 0 C--N 1.307 -1.62 0 C-N-CA 122.663 2.242 . . . . 0.0 111.986 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 32.1 tp -57.92 -36.76 72.93 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.422 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' A' ' 5' ' ' SER . . . 95.61 3.31 61.13 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.98 -0.848 . . . . 50.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 4' ' ' GLY . 26.4 m 38.59 96.5 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.814 0.34 . . . . 50.0 111.028 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 7' ' ' THR . 49.2 t0 -156.96 165.96 34.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 50.0 110.402 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.482 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 21.5 p -81.7 163.22 22.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 50.0 110.279 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -89.4 177.99 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.109 0.48 . . . . 50.0 110.706 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mt -121.66 166.61 14.0 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.491 -0.777 . . . . 50.0 110.712 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 17' ' ' TYR . 43.2 m-85 -116.3 -99.58 0.44 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.348 0.594 . . . . 25.0 111.92 -178.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 1.098 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -37.26 137.92 0.34 Allowed 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 122.53 1.157 . . . . 16.66 112.526 -178.193 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.768 HG23 ' CD1' ' A' ' 33' ' ' TYR . 18.3 pt -46.91 -6.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 CA-C-N 112.79 -2.005 . . . . 50.0 110.506 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.949 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -83.89 -31.19 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.402 -0.817 . . . . 16.66 110.641 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.707 ' CG ' ' O ' ' A' ' 14' ' ' LYS . 10.0 pttt 89.33 80.26 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 121.632 0.729 . . . . 25.0 111.531 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.499 HG22 ' HD2' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -155.35 140.21 12.04 Favored Pre-proline 0 CA--C 1.539 0.53 0 O-C-N 121.903 -0.498 . . . . 50.0 111.195 -179.489 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.499 ' HD2' HG22 ' A' ' 15' ' ' THR . 21.1 Cg_endo -62.51 168.29 10.07 Favored 'Trans proline' 0 N--CA 1.499 1.811 0 C-N-CA 122.408 2.072 . . . . 50.0 111.488 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.693 ' HE1' ' HE1' ' A' ' 23' ' ' TYR . 1.5 t80 -73.83 133.26 43.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.58 0.705 . . . . 50.0 111.955 -178.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.541 ' N ' ' CD1' ' A' ' 17' ' ' TYR . 48.8 t0 -140.39 144.21 36.09 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 114.418 -1.265 . . . . 50.0 108.681 177.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -73.75 9.28 1.52 Allowed 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.394 -0.523 . . . . 50.0 109.708 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 18' ' ' ASP . 54.7 p -96.21 -1.09 48.94 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.962 -0.755 . . . . 50.0 108.962 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.7 ' HG3' ' OH ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -130.51 139.69 50.5 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 114.744 -1.116 . . . . 50.0 108.968 -179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.479 ' CZ ' ' HA3' ' A' ' 35' ' ' GLY . 49.0 p90 -115.4 135.95 53.59 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 107.415 -1.328 . . . . 16.66 107.415 177.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.7 ' OH ' ' HG3' ' A' ' 21' ' ' LYS . 6.1 m-85 -111.4 174.04 6.06 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-O 124.173 1.94 . . . . 50.0 115.699 -175.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.076 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -143.11 125.21 12.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.529 0 CA-C-N 109.446 -3.524 . . . . 16.66 108.429 178.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.533 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -91.36 117.67 5.24 Favored Glycine 0 CA--C 1.533 1.182 0 N-CA-C 111.522 -0.631 . . . . 16.66 111.522 -179.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.349 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 1.7 t -70.04 124.37 23.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.298 0.57 . . . . 16.66 109.975 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -44.66 -47.92 10.54 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.715 1.006 . . . . 25.0 113.715 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.434 HH11 ' HB3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -99.57 -31.7 11.47 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.396 -0.522 . . . . 50.0 111.094 -178.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.375 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -77.85 0.18 24.9 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 107.981 -1.118 . . . . 16.66 107.981 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.543 ' HA ' ' CZ ' ' B' ' 2' ' ' ARG . 5.1 pt20 30.67 23.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 112.85 -1.977 . . . . 16.66 115.593 177.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.743 HD22 ' H ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -135.17 170.29 16.14 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 119.457 1.026 . . . . 50.0 112.349 178.593 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.956 ' CD1' HM32 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -108.61 147.8 31.29 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 115.395 1.628 . . . . 16.66 115.395 -175.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.809 ' OH ' ' HB3' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -128.65 150.65 50.15 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.473 -0.785 . . . . 50.0 109.291 174.097 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.914 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 1.5 m80 -62.71 148.06 47.74 Favored 'General case' 0 N--CA 1.44 -0.957 0 N-CA-C 105.12 -2.178 . . . . 16.66 105.12 176.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' HA3' ' CZ ' ' A' ' 22' ' ' PHE . . . -48.38 -54.08 14.07 Favored Glycine 0 C--N 1.303 -1.263 0 C-N-CA 119.042 -1.551 . . . . 16.66 111.909 -178.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.425 ' H ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -76.42 -18.18 58.96 Favored 'General case' 0 CA--C 1.507 -0.674 0 C-N-CA 120.427 -0.509 . . . . 50.0 110.45 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 1.098 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.8 OUTLIER -50.18 -33.08 17.98 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 119.145 -1.022 . . . . 16.66 108.532 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 m -119.06 20.8 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.148 -0.933 . . . . 16.66 110.839 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.4 46.37 93.12 Favored Glycine 0 N--CA 1.465 0.576 0 CA-C-N 115.635 -0.712 . . . . 16.66 111.58 178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -102.66 167.61 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.292 0.567 . . . . 16.66 112.156 -178.54 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.722 HD22 ' N ' ' A' ' 41' ' ' LEU . 2.1 mm? -62.95 165.53 6.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.163 -0.926 . . . . 50.0 110.866 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -78.14 -54.79 5.85 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.601 -0.727 . . . . 25.0 109.866 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.531 ' O ' ' N ' ' A' ' 45' ' ' ALA . 4.9 t -69.34 -15.1 63.25 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.938 -1.028 . . . . 50.0 109.741 179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.864 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -42.39 -19.07 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 115.702 -0.681 . . . . 50.0 110.641 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.843 ' O ' HG21 ' B' ' 3' ' ' THR . . . -83.01 -41.97 18.07 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.473 -0.491 . . . . 25.0 111.226 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.549 ' C ' ' H ' ' A' ' 48' ' ' ILE . 69.5 tt0 -87.67 -53.82 4.58 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.834 1.05 . . . . 50.0 113.834 -178.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.864 HD11 ' HA ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -71.56 15.06 0.15 Allowed 'General case' 0 CA--C 1.492 -1.263 0 CA-C-O 121.064 0.459 . . . . 16.66 110.745 -179.072 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.804 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.4 OUTLIER -116.59 149.76 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.541 0 CA-C-N 115.472 -0.786 . . . . 25.0 112.94 -176.773 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.723 ' H ' HD13 ' A' ' 48' ' ' ILE . 58.6 t0 -154.07 -18.63 0.13 Allowed 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 114.406 -1.27 . . . . 50.0 110.224 -179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -119.26 26.19 9.62 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 115.883 -0.599 . . . . 50.0 110.173 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.542 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 35.9 t80 -67.16 146.94 53.72 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 119.934 -0.706 . . . . 16.66 110.064 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.542 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 3.2 t -135.99 152.24 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 115.399 -0.818 . . . . 50.0 110.211 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.375 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -67.23 163.2 48.18 Favored Pre-proline 0 CA--C 1.479 -1.779 0 CA-C-N 115.497 -0.774 . . . . 16.66 109.492 -178.793 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -82.61 -16.35 7.98 Favored 'Trans proline' 0 C--N 1.266 -3.813 0 C-N-CA 121.659 1.573 . . . . 16.66 108.535 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -87.43 -56.41 3.37 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 114.148 -1.387 . . . . 50.0 110.524 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 1.323 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER -66.88 -19.72 65.78 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 120.027 -0.669 . . . . 16.66 111.108 -179.357 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 52.0 tt0 -61.47 -33.58 74.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.87 0.367 . . . . 50.0 110.622 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.3 m -53.79 -37.13 63.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 50.0 111.055 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 51.0 m -59.65 -39.39 84.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 50.0 110.599 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.95 142.23 56.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.037 -0.529 . . . . 50.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -120.78 159.68 24.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.198 -0.456 . . . . 50.0 110.371 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.925 -1.036 . . . . 50.0 110.62 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.564 ' HB2' ' O ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.62 ' NH1' ' CZ3' ' A' ' 32' ' ' TRP . 25.9 mtm105 39.53 26.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.498 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.843 HG21 ' O ' ' A' ' 45' ' ' ALA . 33.4 m -52.5 132.77 35.53 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.473 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' M3L . . . . . 0.956 HM32 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.151 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -75.3 156.17 35.87 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.717 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.631 ' O ' ' HB3' ' B' ' 7' ' ' ALA . 14.1 t -128.74 15.56 6.42 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.848 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' B' ' 6' ' ' THR . . . 78.44 165.98 0.21 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 57.3 ttm-85 -130.32 143.1 50.57 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.651 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -63.73 -57.24 10.57 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.493 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 65.0 p -165.34 177.05 7.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 111.079 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 32.2 p 38.5 -151.76 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.076 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.95 -132.22 26.06 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.8 125.47 7.08 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.552 -1.019 . . . . 0.0 110.552 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -99.71 146.34 26.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.871 0.367 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.65 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . 0.5 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.425 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.607 ' O ' ' C ' ' A' ' 3' ' ' LEU . 18.1 Cg_endo -59.12 153.88 49.39 Favored 'Trans proline' 0 C--N 1.306 -1.678 0 C-N-CA 122.834 2.356 . . . . 0.0 111.821 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.607 ' C ' ' O ' ' A' ' 2' ' ' PRO . 28.4 tp -3.13 -74.46 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.574 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 2' ' ' PRO . . . 144.97 124.47 1.72 Allowed Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.035 -0.826 . . . . 50.0 111.035 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.566 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 80.3 p -63.1 -29.65 70.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.667 0.27 . . . . 50.0 110.655 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.566 ' OD1' ' O ' ' A' ' 5' ' ' SER . 37.1 p30 30.51 46.82 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.029 -0.532 . . . . 50.0 111.31 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.5 p -83.83 159.27 21.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.19 0.519 . . . . 50.0 111.274 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.797 ' H ' ' CE ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -72.45 103.39 3.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.461 -0.79 . . . . 50.0 110.802 -179.674 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 4.7 mt -142.38 161.19 38.67 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 119.999 -0.68 . . . . 50.0 112.051 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.647 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 10.0 m-85 -75.47 -99.16 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.821 -1.081 . . . . 25.0 112.517 -178.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 22.5 t -35.5 136.16 0.23 Allowed 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.97 0.89 . . . . 16.66 112.231 -178.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.76 HG23 ' CD2' ' A' ' 33' ' ' TYR . 22.2 pt -53.34 -7.13 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 113.805 -1.543 . . . . 50.0 107.669 177.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.993 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -87.53 -18.51 29.63 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 113.126 -1.852 . . . . 16.66 110.81 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 44.6 mtpt 77.76 79.13 0.07 Allowed 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.445 -0.343 . . . . 25.0 111.923 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.593 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 24.8 p -148.3 150.7 35.27 Favored Pre-proline 0 N--CA 1.468 0.428 0 CA-C-O 120.699 0.285 . . . . 50.0 111.761 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -73.94 170.95 18.91 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 123.094 2.529 . . . . 50.0 111.896 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.647 ' N ' ' HE2' ' A' ' 10' ' ' TYR . 1.0 OUTLIER -77.04 131.7 38.56 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-O 121.481 0.658 . . . . 50.0 110.731 -179.31 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.709 ' C ' ' H ' ' A' ' 20' ' ' SER . 78.6 m-20 -140.89 120.09 12.93 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 114.835 -1.075 . . . . 50.0 109.263 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -57.55 4.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.398 0.618 . . . . 50.0 109.373 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.709 ' H ' ' C ' ' A' ' 18' ' ' ASP . 62.0 m -98.21 -23.75 15.56 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 107.636 -1.246 . . . . 50.0 107.636 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.693 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -99.54 129.92 45.74 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 106.342 -1.725 . . . . 50.0 106.342 178.347 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 22' ' ' PHE . 19.5 p90 -105.27 146.85 28.76 Favored 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 119.784 -0.767 . . . . 16.66 109.433 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.718 ' CG ' ' CM3' ' B' ' 4' ' ' M3L . 75.9 m-85 -124.27 171.95 9.47 Favored 'General case' 0 N--CA 1.433 -1.297 0 N-CA-C 116.762 2.134 . . . . 50.0 116.762 -174.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.984 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.15 129.22 9.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 109.168 -3.651 . . . . 16.66 106.333 177.034 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -95.46 124.25 7.93 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 120.587 -0.816 . . . . 16.66 113.972 -177.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.483 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.6 OUTLIER -48.94 113.36 0.77 Allowed 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 107.782 -1.192 . . . . 16.66 107.782 176.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.514 ' CG ' ' O ' ' A' ' 51' ' ' TYR . 88.6 m-20 -62.97 -38.4 90.96 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-O 121.746 0.784 . . . . 25.0 109.083 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.621 ' HE ' ' CD ' ' A' ' 60' ' ' GLU . 34.9 ttm-85 -97.18 -36.73 10.35 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 114.291 -1.322 . . . . 50.0 110.875 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.309 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -79.61 -28.24 40.98 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 120.032 -0.667 . . . . 16.66 110.516 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.797 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 73.56 23.55 2.42 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.343 0.868 . . . . 16.66 113.343 178.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.5 ' OD1' ' OH ' ' A' ' 33' ' ' TYR . 4.6 p30 -134.84 171.36 14.5 Favored 'General case' 0 CA--C 1.514 -0.417 0 O-C-N 121.53 -0.731 . . . . 50.0 112.449 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.993 ' CD1' HM12 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -118.3 148.47 42.42 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 116.754 2.131 . . . . 16.66 116.754 -174.228 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.76 ' CD2' HG23 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -140.22 162.44 35.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.118 -1.401 . . . . 50.0 109.66 174.162 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.693 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -72.73 138.61 46.66 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 105.28 -2.119 . . . . 16.66 105.28 176.331 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.537 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.09 -45.2 4.97 Favored Glycine 0 C--N 1.307 -1.057 0 C-N-CA 119.23 -1.462 . . . . 16.66 111.642 -177.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.9 OUTLIER -79.12 -19.49 50.99 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.312 -0.555 . . . . 50.0 109.772 179.34 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.993 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 6.4 t -51.42 -27.77 11.08 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 108.463 -0.94 . . . . 16.66 108.463 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.8 m -119.98 14.27 6.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 114.9 -1.045 . . . . 16.66 111.037 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 69.72 46.57 53.25 Favored Glycine 0 N--CA 1.462 0.405 0 CA-C-N 115.982 -0.554 . . . . 16.66 112.12 178.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.537 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -115.71 166.12 10.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 110.263 -0.273 . . . . 16.66 110.263 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.789 ' N ' ' OE2' ' A' ' 44' ' ' GLU . 9.1 mp -61.25 164.38 5.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.277 0.561 . . . . 50.0 109.976 178.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.51 -56.45 4.42 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.505 -0.771 . . . . 25.0 111.126 -178.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.529 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 68.3 m -70.08 -15.43 62.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.973 -0.751 . . . . 50.0 108.973 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.793 ' HA ' HD11 ' A' ' 47' ' ' LEU . 2.4 tt0 -43.27 -18.84 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.329 -0.851 . . . . 50.0 111.361 -178.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.759 ' O ' HG21 ' B' ' 3' ' ' THR . . . -70.78 -46.28 63.2 Favored 'General case' 0 C--N 1.315 -0.931 0 C-N-CA 120.319 -0.552 . . . . 25.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' OE1' ' HB3' ' B' ' 7' ' ' ALA . 96.7 mt-10 -87.67 -45.38 10.44 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.142 1.164 . . . . 50.0 114.142 -178.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.053 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -55.34 -24.48 29.46 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.086 0.402 . . . . 16.66 112.086 -177.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.053 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -85.49 171.97 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.366 0.603 . . . . 25.0 109.452 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.634 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 51.0 t0 -158.88 15.97 0.18 Allowed 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 114.976 -1.011 . . . . 50.0 109.688 -178.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' N ' ' HB2' ' B' ' 1' ' ' ALA . 22.9 pt-20 -160.41 36.84 0.17 Allowed 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 107.254 -1.387 . . . . 50.0 107.254 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.68 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 19.9 t80 -67.09 146.79 53.92 Favored 'General case' 0 CA--C 1.5 -0.964 0 CA-C-N 114.981 -1.009 . . . . 16.66 111.155 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.68 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 13.0 t -137.31 159.21 35.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 113.624 -1.625 . . . . 50.0 108.457 177.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.483 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.9 p -80.35 159.44 69.99 Favored Pre-proline 0 N--CA 1.413 -2.305 0 CA-C-O 121.546 0.689 . . . . 16.66 109.904 -179.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 20.1 Cg_endo -80.37 -25.04 4.97 Favored 'Trans proline' 0 C--N 1.275 -3.312 0 C-N-CA 121.974 1.782 . . . . 16.66 110.241 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.59 -34.44 72.17 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 107.817 -1.179 . . . . 50.0 107.817 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 1.18 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -82.83 -31.94 27.82 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 114.919 -1.037 . . . . 16.66 109.93 179.199 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.52 ' O ' ' O ' ' A' ' 60' ' ' GLU . 48.9 tt0 -51.55 -29.54 17.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.89 -0.596 . . . . 50.0 111.203 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.4 t -47.49 -33.1 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.69 -0.404 . . . . 50.0 110.492 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 80.7 p -104.85 -3.83 22.97 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.429 -0.351 . . . . 50.0 111.469 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.621 ' CD ' ' HE ' ' A' ' 28' ' ' ARG . 47.1 mt-10 -128.22 150.43 50.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.98 0.419 . . . . 50.0 111.136 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -58.03 -37.01 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 50.0 110.521 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.406 ' HA ' HE21 ' A' ' 57' ' ' GLN . . . . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.001 -1.0 . . . . 50.0 110.416 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.634 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.5 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.503 ' NH1' ' O ' ' A' ' 26' ' ' CYS . 11.7 ttm105 -100.5 47.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.918 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.759 HG21 ' O ' ' A' ' 45' ' ' ALA . 17.3 m -61.16 141.14 57.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.197 -179.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' M3L . . . . . 0.993 HM12 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 CA--C 1.533 0.305 0 CA-C-O 121.617 0.722 . . . . 0.0 109.273 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.576 ' CD ' ' H ' ' B' ' 5' ' ' GLN . 1.8 pm0 -59.55 151.22 24.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.609 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.7 p -108.07 18.0 21.69 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.453 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.426 ' HB3' ' OE1' ' A' ' 46' ' ' GLU . . . -122.12 -161.13 0.91 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.613 -179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.401 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 79.7 mtm180 -54.16 143.99 21.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' B' ' 10' ' ' SER . 17.1 ttmm -98.08 136.17 38.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.342 179.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.468 ' O ' ' O ' ' B' ' 9' ' ' LYS . 11.4 p 40.25 97.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 9.3 t -89.68 173.71 8.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.648 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -52.86 -29.1 33.34 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.82 65.68 1.09 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -63.33 134.77 56.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.739 0.304 . . . . 0.0 110.609 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.624 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . 0.458 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.52 -17.3 47.59 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.873 2.382 . . . . 0.0 111.932 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -90.89 132.4 35.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.398 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.38 43.47 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.843 -0.903 . . . . 50.0 110.843 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.549 ' C ' ' H ' ' A' ' 7' ' ' THR . 75.3 m -82.63 10.2 7.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.709 0.29 . . . . 50.0 110.64 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 t0 70.46 -23.06 0.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.193 -0.458 . . . . 50.0 110.748 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.549 ' H ' ' C ' ' A' ' 5' ' ' SER . 64.0 p -124.97 164.49 20.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 50.0 110.267 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -70.94 -175.78 1.21 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.372 0.606 . . . . 50.0 110.714 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.908 ' H ' HD12 ' A' ' 9' ' ' LEU . 3.7 mp -64.24 168.27 5.74 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.966 -1.016 . . . . 50.0 111.236 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.495 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 16.6 m-85 -60.38 -107.51 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.297 -0.865 . . . . 25.0 111.067 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.992 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -32.83 122.49 0.36 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 114.535 -1.211 . . . . 16.66 112.176 -179.324 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.75 HG23 ' CD1' ' A' ' 33' ' ' TYR . 22.6 pt -47.49 -6.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 113.15 -1.841 . . . . 50.0 109.692 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.949 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -86.67 -3.37 59.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.49 -1.232 . . . . 16.66 110.045 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 11' ' ' CYS . 44.5 mtpt 67.56 72.69 0.33 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.797 -0.638 . . . . 25.0 112.053 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.5 p -146.9 143.09 17.86 Favored Pre-proline 0 CA--C 1.533 0.322 0 C-N-CA 121.008 -0.277 . . . . 50.0 111.273 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.05 169.1 23.21 Favored 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.995 2.464 . . . . 50.0 111.499 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.755 ' CZ ' HM23 ' B' ' 4' ' ' M3L . 0.9 OUTLIER -65.77 129.53 40.09 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 121.45 0.643 . . . . 50.0 110.508 -179.47 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.708 ' C ' ' H ' ' A' ' 20' ' ' SER . 89.6 m-20 -140.48 119.03 12.27 Favored 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 114.806 -1.088 . . . . 50.0 108.959 178.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -56.2 3.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.376 -0.602 . . . . 50.0 109.376 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.708 ' H ' ' C ' ' A' ' 18' ' ' ASP . 66.9 m -95.47 -25.25 16.31 Favored 'General case' 0 CA--C 1.516 -0.365 0 N-CA-C 107.962 -1.125 . . . . 50.0 107.962 178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.694 ' HZ3' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -99.1 131.49 45.1 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.012 -1.449 . . . . 50.0 107.464 178.523 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 52.4 p90 -108.14 135.45 49.47 Favored 'General case' 0 CA--C 1.498 -1.05 0 C-N-CA 119.53 -0.868 . . . . 16.66 110.033 179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.662 ' HB2' ' HB2' ' B' ' 4' ' ' M3L . 72.2 m-85 -110.13 173.16 6.45 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 117.268 2.321 . . . . 50.0 117.268 -174.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.981 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -148.24 128.66 4.81 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.145 0 CA-C-N 109.202 -3.635 . . . . 16.66 106.602 177.375 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.521 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -89.57 125.62 7.91 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 120.913 -0.66 . . . . 16.66 114.354 -177.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.468 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -53.04 110.28 0.51 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.197 -1.409 . . . . 16.66 107.197 176.224 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.624 ' H ' ' HA ' ' A' ' 52' ' ' VAL . 60.3 t0 -60.83 -37.8 83.26 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.54 0.686 . . . . 25.0 109.482 -178.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.438 ' HG3' ' HB3' ' A' ' 56' ' ' CYS . 0.2 OUTLIER -97.77 -38.47 9.46 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 114.677 -1.147 . . . . 50.0 110.466 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.305 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.54 -28.24 51.88 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.041 -0.664 . . . . 16.66 110.406 -179.496 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.762 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER 75.56 21.39 1.75 Allowed 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.098 0.777 . . . . 16.66 113.098 178.773 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.601 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 25.8 p30 -135.14 172.07 13.53 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 118.76 0.709 . . . . 50.0 112.316 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.997 ' CD1' HM12 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -118.67 149.18 41.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 116.41 2.004 . . . . 16.66 116.41 -174.417 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.75 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -136.77 161.84 34.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.66 -1.154 . . . . 50.0 108.319 173.178 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.892 ' HD1' ' HG ' ' A' ' 37' ' ' CYS . 22.5 p-80 -82.68 141.33 32.53 Favored 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 106.036 -1.839 . . . . 16.66 106.036 176.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.496 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -40.11 -49.61 3.55 Favored Glycine 0 C--N 1.304 -1.22 0 C-N-CA 119.983 -1.103 . . . . 16.66 113.691 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.661 ' N ' ' CD ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -74.37 -20.41 60.09 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-N 117.878 0.839 . . . . 50.0 109.414 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.992 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -51.17 -29.99 15.48 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 115.385 -0.825 . . . . 16.66 108.78 179.327 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.27 13.78 4.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.147 -0.933 . . . . 16.66 110.884 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.14 45.75 78.65 Favored Glycine 0 N--CA 1.461 0.308 0 CA-C-N 115.639 -0.709 . . . . 16.66 112.055 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.496 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -107.55 167.63 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.933 0.396 . . . . 16.66 110.854 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.612 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.7 mp -61.35 164.76 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.948 -0.569 . . . . 50.0 110.409 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.26 -55.69 5.06 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.575 -0.739 . . . . 25.0 110.151 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.621 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 59.7 m -69.35 -15.87 63.41 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.412 -0.813 . . . . 50.0 109.205 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.716 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -42.01 -20.26 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 115.336 -0.847 . . . . 50.0 110.977 -178.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.732 ' O ' HG21 ' B' ' 3' ' ' THR . . . -73.12 -47.77 41.35 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 120.419 -0.512 . . . . 25.0 110.962 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -88.17 -41.7 12.81 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 114.292 1.219 . . . . 50.0 114.292 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.046 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.2 pp -55.99 -25.89 46.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.011 0.374 . . . . 16.66 112.011 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.046 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.2 pp -85.87 172.22 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.424 0.63 . . . . 25.0 109.728 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.777 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 49.5 t0 -159.59 10.82 0.12 Allowed 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 114.794 -1.093 . . . . 50.0 109.45 -178.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -158.77 40.85 0.24 Allowed 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 106.525 -1.657 . . . . 50.0 106.525 178.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.689 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 20.2 t80 -65.95 145.25 56.13 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 114.43 -1.259 . . . . 16.66 111.578 -178.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.689 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 12.9 t -133.92 159.46 42.39 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 CA-C-N 113.394 -1.73 . . . . 50.0 108.427 177.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.468 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 6.3 p -81.6 159.38 66.87 Favored Pre-proline 0 N--CA 1.414 -2.253 0 CA-C-O 121.549 0.69 . . . . 16.66 110.138 -179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.512 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 26.5 Cg_endo -81.68 -24.05 4.46 Favored 'Trans proline' 0 C--N 1.278 -3.162 0 C-N-CA 122.01 1.807 . . . . 16.66 109.926 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.414 ' OE1' ' O ' ' A' ' 55' ' ' GLN . 1.9 tm0? -71.11 -36.12 72.04 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.343 -1.354 . . . . 50.0 107.343 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 1.174 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -76.67 -35.0 58.22 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 114.726 -1.125 . . . . 16.66 109.388 178.488 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.519 ' O ' ' O ' ' A' ' 60' ' ' GLU . 45.9 tt0 -56.77 -39.78 74.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.693 -0.685 . . . . 50.0 110.877 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.4 m -62.61 -49.37 75.49 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.56 -0.456 . . . . 50.0 110.075 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 56.2 m -74.34 -33.61 63.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.56 . . . . 50.0 110.372 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 56' ' ' CYS . 48.0 tp10 -86.78 137.81 32.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.757 -0.656 . . . . 50.0 110.89 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' OD1' ' N ' ' A' ' 62' ' ' ALA . 60.1 t0 -139.25 141.37 37.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.343 -0.39 . . . . 50.0 110.659 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.411 ' N ' ' OD1' ' A' ' 61' ' ' ASP . . . . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.912 -1.042 . . . . 50.0 110.618 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.777 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.715 HH21 ' N ' ' A' ' 26' ' ' CYS . 18.1 mtm105 -99.73 22.07 11.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.48 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.732 HG21 ' O ' ' A' ' 45' ' ' ALA . 6.0 m -50.47 130.81 24.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.163 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' M3L . . . . . 0.997 HM12 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 C--N 1.33 -0.277 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.436 ' HG3' HG22 ' B' ' 3' ' ' THR . 70.9 mt-30 -99.66 151.89 20.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.914 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -47.06 116.62 1.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.871 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' B' ' 8' ' ' ARG . . . -171.85 145.04 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.257 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.503 ' O ' ' O ' ' B' ' 7' ' ' ALA . 32.8 ttm180 55.45 152.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.977 0.417 . . . . 0.0 110.586 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.535 ' O ' ' O ' ' B' ' 10' ' ' SER . 44.7 mtpt -80.76 160.52 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.314 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.535 ' O ' ' O ' ' B' ' 9' ' ' LYS . 6.0 m -54.42 -125.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.863 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 16.7 p -121.33 159.22 26.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.602 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.23 12.01 77.13 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.95 57.58 0.43 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -84.46 142.67 29.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.918 0.39 . . . . 0.0 110.478 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.636 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . 0.46 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.387 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -54.6 -20.1 20.26 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.726 2.284 . . . . 0.0 112.097 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.667 HD13 ' N ' ' A' ' 4' ' ' GLY . 0.3 OUTLIER -89.86 121.44 31.98 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.667 ' N ' HD13 ' A' ' 3' ' ' LEU . . . -101.47 136.64 12.85 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.344 -0.703 . . . . 50.0 111.344 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 t -61.01 -27.09 68.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.872 0.367 . . . . 50.0 110.689 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -60.18 134.93 57.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 50.0 110.791 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.6 p -81.96 163.96 21.82 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.968 -0.56 . . . . 50.0 110.693 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.599 ' HZ2' ' CG ' ' A' ' 14' ' ' LYS . 10.6 ptmt -74.15 -175.78 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.354 0.597 . . . . 50.0 111.324 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.806 HD12 ' N ' ' A' ' 9' ' ' LEU . 4.5 mp -62.26 -175.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.929 -1.032 . . . . 50.0 111.192 -179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.567 ' CD1' HM33 ' B' ' 4' ' ' M3L . 16.2 m-85 -60.49 -106.26 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.663 -0.699 . . . . 25.0 112.021 -179.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 9.9 t -35.4 134.17 0.32 Allowed 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 122.026 0.917 . . . . 16.66 112.182 -178.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.788 HG23 ' CD2' ' A' ' 33' ' ' TYR . 19.3 pt -52.14 -7.28 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 113.803 -1.544 . . . . 50.0 108.382 178.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.984 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -87.1 -8.64 56.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 113.764 -1.562 . . . . 16.66 110.613 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.599 ' CG ' ' HZ2' ' A' ' 8' ' ' LYS . 57.1 mttp 71.49 78.67 0.17 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.171 -0.468 . . . . 25.0 112.1 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -153.6 149.69 21.73 Favored Pre-proline 0 N--CA 1.468 0.441 0 CA-C-O 120.778 0.323 . . . . 50.0 111.267 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.46 177.38 8.44 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 C-N-CA 123.057 2.505 . . . . 50.0 112.348 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.624 ' CD1' HM21 ' B' ' 4' ' ' M3L . 1.0 OUTLIER -81.05 130.4 35.0 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 121.367 0.603 . . . . 50.0 110.372 -179.544 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.709 ' C ' ' H ' ' A' ' 20' ' ' SER . 79.7 m-20 -140.38 121.88 15.12 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 115.046 -0.979 . . . . 50.0 109.12 178.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -58.78 6.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.272 0.558 . . . . 50.0 109.552 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.709 ' H ' ' C ' ' A' ' 18' ' ' ASP . 17.8 m -101.62 -9.5 20.88 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 107.404 -1.332 . . . . 50.0 107.404 178.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.649 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 17.2 tptt -119.58 130.65 55.24 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 113.165 -1.834 . . . . 50.0 106.176 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 45' ' ' ALA . 51.9 p90 -108.3 145.3 34.6 Favored 'General case' 0 CA--C 1.495 -1.141 0 C-N-CA 119.446 -0.902 . . . . 16.66 110.046 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.939 ' CG ' HM23 ' B' ' 4' ' ' M3L . 41.1 m-85 -120.63 171.05 8.85 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 116.818 2.155 . . . . 50.0 116.818 -175.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.007 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -149.13 123.76 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 CA-C-N 108.827 -3.806 . . . . 16.66 106.152 176.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.52 ' C ' HH21 ' B' ' 2' ' ' ARG . . . -89.29 128.06 8.99 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 120.592 -0.813 . . . . 16.66 114.589 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.469 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -47.51 108.38 0.15 Allowed 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 106.956 -1.498 . . . . 16.66 106.956 176.145 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -64.37 -33.66 76.36 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.009 0.909 . . . . 25.0 108.621 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 45.7 ttm-85 -99.59 -33.07 10.78 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 113.76 -1.564 . . . . 50.0 111.217 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.329 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -86.88 -29.05 22.46 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 119.902 -0.719 . . . . 16.66 110.79 -179.22 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.803 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.3 OUTLIER 85.45 15.47 0.15 Allowed 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.454 1.279 . . . . 16.66 114.454 178.021 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.852 HD22 ' H ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -135.57 170.97 15.13 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 120.057 1.299 . . . . 50.0 112.227 178.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.714 ' CH2' ' NH1' ' B' ' 2' ' ' ARG . 0.0 OUTLIER -116.01 151.41 35.53 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 116.36 1.985 . . . . 16.66 116.36 -175.109 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.788 ' CD2' HG23 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -140.49 163.91 31.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.612 -1.176 . . . . 50.0 108.636 173.284 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.727 ' O ' ' N ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -79.51 132.77 36.42 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 107.412 -1.329 . . . . 16.66 107.412 177.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.548 ' HA2' HG13 ' A' ' 38' ' ' VAL . . . -40.75 -37.68 1.38 Allowed Glycine 0 C--N 1.304 -1.214 0 C-N-CA 119.842 -1.17 . . . . 16.66 110.523 -179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.627 ' HD3' ' N ' ' A' ' 36' ' ' ARG . 2.2 mmt85 -70.67 -33.04 70.51 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.332 -0.988 . . . . 50.0 108.332 178.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 3.0 t -68.59 -49.36 59.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 113.974 -1.467 . . . . 16.66 110.652 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -80.12 -12.97 13.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 114.299 -1.319 . . . . 16.66 110.051 -179.516 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.94 45.85 8.1 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.547 -0.621 . . . . 16.66 111.547 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.499 HG23 ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -126.48 171.03 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.24 0.543 . . . . 16.66 112.176 -178.724 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.499 ' N ' HG23 ' A' ' 40' ' ' ILE . 18.4 mt -55.06 166.89 0.47 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.275 -0.875 . . . . 50.0 111.53 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -77.83 -54.0 6.84 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 114.088 -1.415 . . . . 25.0 110.341 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.55 ' O ' ' N ' ' A' ' 45' ' ' ALA . 23.0 m -72.41 -16.06 61.84 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.983 -1.008 . . . . 50.0 110.113 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.902 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.6 mm-40 -42.89 -17.61 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.032 -0.531 . . . . 50.0 110.48 179.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.843 ' O ' HG21 ' B' ' 3' ' ' THR . . . -81.05 -46.9 14.32 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.84 -0.618 . . . . 25.0 111.6 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.58 ' C ' ' H ' ' A' ' 48' ' ' ILE . 48.1 tp10 -87.15 -53.22 4.98 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.782 1.031 . . . . 50.0 113.782 -178.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.902 HD11 ' HA ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -70.33 14.98 0.1 Allowed 'General case' 0 CA--C 1.491 -1.306 0 CA-C-O 121.068 0.461 . . . . 16.66 110.738 -178.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.791 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -109.74 148.2 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.573 0 CA-C-N 115.341 -0.845 . . . . 25.0 113.21 -176.048 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.761 ' H ' HD13 ' A' ' 48' ' ' ILE . 63.5 t0 -162.99 39.0 0.1 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.699 -1.137 . . . . 50.0 110.775 -178.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.828 ' N ' ' HB2' ' B' ' 1' ' ' ALA . 23.3 pt-20 -177.21 15.62 0.0 OUTLIER 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.011 -0.737 . . . . 50.0 109.011 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.618 ' OH ' ' HA ' ' A' ' 53' ' ' CYS . 1.6 t80 -69.22 148.15 50.26 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.541 -0.754 . . . . 16.66 111.602 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.602 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 20.6 t -132.68 159.53 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-N 114.443 -1.253 . . . . 50.0 108.537 177.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.469 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.7 p -76.75 156.91 82.55 Favored Pre-proline 0 N--CA 1.416 -2.162 0 CA-C-O 121.556 0.694 . . . . 16.66 110.241 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.47 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 47.0 Cg_endo -76.67 -26.27 8.51 Favored 'Trans proline' 0 C--N 1.273 -3.402 0 C-N-CA 121.779 1.653 . . . . 16.66 110.494 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -70.07 -34.92 73.78 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.208 -1.034 . . . . 50.0 108.208 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 1.17 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -83.31 -43.0 16.48 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.026 -0.988 . . . . 16.66 110.148 179.41 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -51.87 -33.04 34.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.816 -0.629 . . . . 50.0 110.887 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.4 m -51.23 -36.62 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.61 -0.436 . . . . 50.0 109.858 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.4 p -72.65 -36.58 68.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 50.0 110.162 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -62.97 144.57 56.7 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.158 -0.474 . . . . 50.0 110.537 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 55.58 45.73 24.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 50.0 110.68 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.97 -1.014 . . . . 50.0 110.606 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.828 ' HB2' ' N ' ' A' ' 50' ' ' GLU . . . . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.752 HH22 ' N ' ' A' ' 31' ' ' ASN . 25.0 ttp85 -82.92 31.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.661 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.843 HG21 ' O ' ' A' ' 45' ' ' ALA . 63.4 m -63.84 140.66 58.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.167 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' M3L . . . . . 0.939 HM23 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.334 -0.104 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.593 HE22 ' C ' ' A' ' 45' ' ' ALA . 8.3 pt20 -167.24 -179.86 4.74 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.108 -178.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 13.4 t -60.38 171.59 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.533 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 42.33 71.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.575 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -58.32 -30.95 67.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.624 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -63.96 130.31 43.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.457 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 2.5 t 174.18 -39.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.25 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 42.3 m -57.63 -37.75 73.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.461 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.56 173.89 21.54 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.95 18.88 62.31 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -57.62 -34.71 69.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.758 0.313 . . . . 0.0 110.591 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.049 -0.977 . . . . 0.0 110.616 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . 0.454 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.247 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -53.28 140.96 61.36 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.76 2.307 . . . . 0.0 112.22 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.481 HD11 HG22 ' A' ' 7' ' ' THR . 28.3 tp -103.99 130.0 51.62 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.201 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.59 16.61 0.02 OUTLIER Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.942 -0.863 . . . . 50.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -142.69 -157.33 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.924 -0.398 . . . . 50.0 109.924 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -51.18 143.3 11.19 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.628 -0.508 . . . . 50.0 109.628 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.481 HG22 HD11 ' A' ' 3' ' ' LEU . 59.2 p -115.63 178.75 4.19 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 121.819 0.818 . . . . 50.0 112.083 -179.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' HZ1' ' HB3' ' A' ' 14' ' ' LYS . 36.4 mtpt -77.23 -175.75 3.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.156 -1.384 . . . . 50.0 111.464 -179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.093 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -61.39 -171.27 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.878 -0.601 . . . . 50.0 111.844 -179.092 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.582 ' CD1' ' CD1' ' A' ' 32' ' ' TRP . 9.4 m-85 -43.06 -114.38 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.427 0.899 . . . . 25.0 113.427 -177.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.981 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 18.2 t -30.94 116.8 0.16 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.384 -1.28 . . . . 16.66 113.307 -177.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.715 HG23 ' CD1' ' A' ' 33' ' ' TYR . 12.5 pt -51.99 -11.48 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 112.958 -1.928 . . . . 50.0 108.937 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.989 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -79.88 6.32 11.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 113.878 -1.51 . . . . 16.66 110.772 -178.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' HB3' ' HZ1' ' A' ' 8' ' ' LYS . 8.2 mtmp? 69.18 54.53 0.43 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.123 -0.489 . . . . 25.0 111.786 179.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.5 p -146.21 125.27 6.57 Favored Pre-proline 0 CA--C 1.536 0.437 0 C-N-CA 120.538 -0.465 . . . . 50.0 111.511 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -71.46 -179.3 3.55 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.83 2.353 . . . . 50.0 111.313 178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.613 ' CE2' ' CM2' ' B' ' 4' ' ' M3L . 0.6 OUTLIER -64.48 129.46 39.94 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 121.709 0.766 . . . . 50.0 111.357 -178.747 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.757 ' C ' ' H ' ' A' ' 20' ' ' SER . 86.7 m-20 -141.29 116.51 10.01 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 114.104 -1.407 . . . . 50.0 107.842 177.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -56.11 6.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.251 -0.579 . . . . 50.0 109.487 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.757 ' H ' ' C ' ' A' ' 18' ' ' ASP . 19.0 m -103.48 -7.2 21.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.874 -1.158 . . . . 50.0 107.874 178.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HG3' ' CB ' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -119.92 134.16 55.33 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 113.828 -1.533 . . . . 50.0 107.674 179.588 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.796 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 29.2 p90 -106.74 152.8 23.33 Favored 'General case' 0 CA--C 1.497 -1.077 0 C-N-CA 119.786 -0.765 . . . . 16.66 109.479 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.909 ' CG ' HM32 ' B' ' 4' ' ' M3L . 51.4 m-85 -129.35 175.72 8.52 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 116.351 1.982 . . . . 50.0 116.351 -175.037 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.982 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -148.18 134.97 13.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.084 0 CA-C-N 109.735 -3.393 . . . . 16.66 106.632 177.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.96 128.9 9.67 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 120.88 -0.676 . . . . 16.66 113.974 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.326 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 1.8 t -55.81 108.14 0.42 Allowed 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.059 -1.089 . . . . 16.66 108.059 177.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.573 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 57.6 t0 -56.65 -35.46 68.39 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-O 120.992 0.425 . . . . 25.0 110.508 -178.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.704 ' HE ' ' N ' ' A' ' 61' ' ' ASP . 0.0 OUTLIER -103.98 -31.94 9.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.875 -0.602 . . . . 50.0 110.69 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.326 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -81.7 -28.21 33.59 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 120.187 -0.605 . . . . 16.66 110.031 -179.525 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.728 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.2 OUTLIER 74.19 20.5 2.68 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.484 0.92 . . . . 16.66 113.484 178.297 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.623 ' ND2' ' OH ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -134.37 171.94 13.59 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.957 -0.697 . . . . 50.0 111.338 178.658 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.796 ' CG ' HM33 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -118.78 153.6 34.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 116.184 1.92 . . . . 16.66 116.184 -174.718 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.758 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -140.24 158.44 44.03 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 113.364 -1.744 . . . . 50.0 106.385 172.803 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.806 ' ND1' ' SG ' ' A' ' 37' ' ' CYS . 18.1 p-80 -79.57 148.07 31.88 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 116.505 -2.078 . . . . 16.66 107.364 177.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.568 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -39.06 -61.74 1.35 Allowed Glycine 0 C--N 1.307 -1.053 0 C-N-CA 120.086 -1.055 . . . . 16.66 113.649 -173.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.543 ' HD2' ' NE2' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -68.77 -17.65 64.07 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 119.715 -0.794 . . . . 50.0 110.082 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.989 ' SG ' ' CB ' ' A' ' 13' ' ' CYS . 0.6 OUTLIER -49.47 -33.68 14.92 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.573 -0.899 . . . . 16.66 108.573 179.62 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.1 m -117.29 16.52 7.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.935 -1.03 . . . . 16.66 110.506 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 70.84 46.2 47.06 Favored Glycine 0 CA--C 1.519 0.339 0 CA-C-N 115.321 -0.854 . . . . 16.66 112.542 178.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.568 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -114.67 167.94 6.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.12 0.486 . . . . 16.66 110.767 -179.839 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.527 ' N ' HG23 ' A' ' 40' ' ' ILE . 44.2 mt -61.85 164.94 5.78 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.612 -0.722 . . . . 50.0 110.128 178.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.46 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -78.61 -55.69 5.0 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.531 -0.759 . . . . 25.0 110.634 -178.745 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.621 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 70.1 m -69.56 -15.27 63.19 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.507 -0.77 . . . . 50.0 109.072 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.775 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -41.55 -19.94 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 115.327 -0.851 . . . . 50.0 111.004 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.718 ' O ' HG21 ' B' ' 3' ' ' THR . . . -73.8 -47.56 37.82 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 120.59 -0.444 . . . . 25.0 111.234 -179.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -86.48 -43.99 12.33 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.774 1.027 . . . . 50.0 113.774 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.059 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.1 pp -55.82 -24.85 38.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.096 0.406 . . . . 16.66 112.096 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.059 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -86.16 172.33 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-O 121.71 0.766 . . . . 25.0 109.981 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.409 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 22.4 t70 -158.67 8.25 0.13 Allowed 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.505 -1.225 . . . . 50.0 109.274 -178.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' H ' ' H ' ' A' ' 49' ' ' ASP . 30.3 mt-10 -153.69 36.9 0.45 Allowed 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 114.018 -1.446 . . . . 50.0 107.244 178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.669 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 23.6 t80 -66.18 146.3 54.79 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-O 122.026 0.917 . . . . 16.66 110.872 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.669 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 21.2 t -137.27 158.8 35.76 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-N 113.687 -1.597 . . . . 50.0 109.204 178.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.002 ' SG ' ' CB ' ' A' ' 56' ' ' CYS . 4.5 p -77.13 161.44 73.17 Favored Pre-proline 0 N--CA 1.417 -2.108 0 CA-C-O 121.37 0.605 . . . . 16.66 109.45 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 16.2 Cg_endo -81.76 -28.46 2.14 Favored 'Trans proline' 0 C--N 1.278 -3.14 0 C-N-CA 121.954 1.77 . . . . 16.66 111.088 -178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -71.98 -31.65 66.48 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 107.184 -1.413 . . . . 50.0 107.184 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 1.19 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 7.6 m -65.03 -56.15 14.78 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.18 -1.373 . . . . 16.66 110.325 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 38.9 tt0 -53.2 -29.19 30.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.249 -0.887 . . . . 50.0 110.904 -178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 12.1 t -58.28 -37.48 75.08 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.703 -0.399 . . . . 50.0 110.664 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.531 ' OG1' ' NH1' ' A' ' 28' ' ' ARG . 55.8 p -106.14 -29.4 9.88 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.969 0.359 . . . . 50.0 111.969 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' O ' ' O ' ' A' ' 59' ' ' THR . 91.9 mt-10 57.53 126.25 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.834 0.349 . . . . 50.0 110.741 -179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.704 ' N ' ' HE ' ' A' ' 28' ' ' ARG . 53.6 t0 -59.35 -35.77 74.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.379 -0.373 . . . . 50.0 110.414 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.0 -1.0 . . . . 50.0 110.496 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.409 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.573 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 32.7 mtm180 35.58 48.66 0.46 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.626 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.718 HG21 ' O ' ' A' ' 45' ' ' ALA . 28.2 m -65.37 138.56 58.23 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' M3L . . . . . 0.909 HM32 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.591 ' CD ' ' H ' ' B' ' 5' ' ' GLN . 1.5 pm0 -93.98 170.55 9.46 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.31 -178.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 38.4 p -109.17 66.28 0.63 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.828 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 44.12 86.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.018 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -126.61 145.06 50.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.203 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -119.95 136.08 54.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.847 0.356 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 49.5 m -128.83 151.29 49.76 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.573 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 39.7 m -57.31 -37.84 73.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.548 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.01 -154.87 26.98 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.49 6.19 15.48 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 12.2 tptp 61.77 51.51 3.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.77 0.319 . . . . 0.0 110.527 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.562 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -54.93 -12.65 5.1 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.918 2.412 . . . . 0.0 112.171 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.762 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.4 mp -81.18 135.13 35.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.857 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.41 -22.65 59.15 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.007 -0.837 . . . . 50.0 111.007 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 m -52.99 -34.31 55.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.518 0.199 . . . . 50.0 110.973 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -126.2 126.54 44.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.774 0.321 . . . . 50.0 110.965 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.0 p -121.62 171.75 8.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.083 -0.508 . . . . 50.0 109.858 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.52 ' HZ2' ' HG2' ' A' ' 14' ' ' LYS . 7.0 ptmt -122.17 -175.91 3.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.042 -0.526 . . . . 50.0 111.48 -178.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.952 ' H ' HD12 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -60.98 -176.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.493 -0.776 . . . . 50.0 111.266 -178.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.61 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 10.0 m-85 -54.46 -106.16 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.692 -0.685 . . . . 25.0 110.634 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 36.6 t -36.85 133.48 0.58 Allowed 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 122.005 0.907 . . . . 16.66 112.379 -179.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.749 HG23 ' CD1' ' A' ' 33' ' ' TYR . 12.5 pt -55.57 -7.08 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 113.62 -1.627 . . . . 50.0 108.101 177.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.953 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -84.24 -12.28 55.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 113.612 -1.631 . . . . 16.66 111.601 -179.053 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.52 ' HG2' ' HZ2' ' A' ' 8' ' ' LYS . 34.2 mtmt 78.29 78.61 0.07 Allowed 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 111.948 0.351 . . . . 25.0 111.948 179.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.52 141.62 7.98 Favored Pre-proline 0 CA--C 1.535 0.371 0 C-N-CA 120.903 -0.319 . . . . 50.0 110.895 179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.26 -165.92 0.27 Allowed 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.764 2.309 . . . . 50.0 111.906 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.763 ' CE1' HM23 ' B' ' 4' ' ' M3L . 0.8 OUTLIER -86.08 130.93 34.38 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 121.716 0.769 . . . . 50.0 110.969 -179.191 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.74 ' C ' ' H ' ' A' ' 20' ' ' SER . 90.6 m-20 -140.76 116.84 10.53 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-N 114.415 -1.266 . . . . 50.0 108.247 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -57.43 8.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.291 0.567 . . . . 50.0 109.692 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.74 ' H ' ' C ' ' A' ' 18' ' ' ASP . 31.7 m -101.68 -12.28 18.52 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 107.452 -1.314 . . . . 50.0 107.452 178.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.633 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 14.0 tptt -115.26 131.08 57.04 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 113.575 -1.648 . . . . 50.0 106.612 178.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.762 ' CZ ' ' NE2' ' A' ' 42' ' ' GLN . 46.1 p90 -109.55 142.8 40.1 Favored 'General case' 0 CA--C 1.494 -1.21 0 C-N-CA 119.778 -0.769 . . . . 16.66 109.567 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.989 ' CG ' HM32 ' B' ' 4' ' ' M3L . 38.6 m-85 -119.35 173.81 6.74 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 117.024 2.231 . . . . 50.0 117.024 -174.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.01 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -145.02 134.49 18.32 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.189 0 CA-C-N 108.989 -3.732 . . . . 16.66 106.862 177.529 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.94 123.96 7.78 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 120.417 -0.897 . . . . 16.66 113.496 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.326 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 1.8 t -48.09 118.24 2.29 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 108.504 -0.924 . . . . 16.66 108.504 177.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.712 ' HB2' HG22 ' A' ' 52' ' ' VAL . 51.8 t0 -53.1 -37.03 61.36 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.528 -0.469 . . . . 25.0 110.429 -178.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.61 -37.95 5.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.807 -0.633 . . . . 50.0 110.2 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.326 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -72.53 0.44 10.39 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.391 0.615 . . . . 16.66 109.543 -179.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.551 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 4.6 pt20 31.43 33.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.784 -1.098 . . . . 16.66 112.906 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.543 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 22.0 p30 -134.39 171.2 14.61 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 120.467 -0.493 . . . . 50.0 111.021 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.838 ' CB ' HM33 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -121.8 151.65 40.37 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 116.993 2.22 . . . . 16.66 116.993 -174.045 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.749 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -141.12 166.03 25.92 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 113.705 -1.589 . . . . 50.0 109.454 173.639 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.633 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -73.67 141.33 46.46 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 106.06 -1.83 . . . . 16.66 106.06 176.421 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.504 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.33 -46.64 5.52 Favored Glycine 0 C--N 1.305 -1.153 0 C-N-CA 119.595 -1.288 . . . . 16.66 111.379 -178.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.502 ' H ' ' HG3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -78.8 -19.68 51.58 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.189 -0.604 . . . . 50.0 109.765 179.246 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.959 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 4.0 t -51.68 -28.21 14.02 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 119.588 -0.845 . . . . 16.66 108.858 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.3 m -116.72 9.92 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.071 -0.968 . . . . 16.66 110.684 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 75.21 46.08 17.2 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 115.676 -0.693 . . . . 16.66 112.512 178.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.543 ' CG2' ' HG2' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -115.77 168.24 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.169 0.509 . . . . 16.66 110.83 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.531 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 66.0 mt -63.38 162.33 12.56 Favored 'General case' 0 CA--C 1.511 -0.533 0 CA-C-N 115.581 -0.736 . . . . 50.0 111.252 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.762 ' NE2' ' CZ ' ' A' ' 22' ' ' PHE . 1.2 tp60 -80.39 -55.45 4.88 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.709 0.766 . . . . 25.0 108.933 179.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.575 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 49.0 m -57.26 -13.99 3.85 Favored 'General case' 0 N--CA 1.439 -0.986 0 CA-C-N 114.75 -1.114 . . . . 50.0 108.467 179.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.946 ' O ' HG13 ' A' ' 48' ' ' ILE . 2.5 pp20? -40.82 -52.22 3.05 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 114.934 -1.03 . . . . 50.0 110.409 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.77 ' N ' ' CD ' ' A' ' 44' ' ' GLU . . . -54.86 -36.3 64.95 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 114.705 -1.134 . . . . 25.0 111.43 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 43' ' ' SER . 95.9 mt-10 -89.54 -7.85 54.02 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.449 1.278 . . . . 50.0 114.449 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.77 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.7 pp -116.28 -20.98 9.54 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 115.122 1.527 . . . . 16.66 115.122 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.946 HG13 ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -86.48 171.08 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 CA-C-O 121.496 0.665 . . . . 25.0 110.261 -179.324 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -167.91 18.68 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.848 -1.069 . . . . 50.0 109.029 -178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.479 ' CA ' ' HB2' ' B' ' 1' ' ' ALA . 23.1 pt-20 -160.56 29.07 0.16 Allowed 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 106.75 -1.574 . . . . 50.0 106.75 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.658 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 3.6 t80 -66.83 147.93 52.61 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 114.622 -1.172 . . . . 16.66 110.179 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.712 HG22 ' HB2' ' A' ' 27' ' ' ASP . 21.3 t -134.11 159.52 42.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 CA-C-N 113.957 -1.474 . . . . 50.0 109.098 178.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.018 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 6.3 p -79.83 158.36 73.01 Favored Pre-proline 0 N--CA 1.411 -2.386 0 N-CA-C 109.225 -0.657 . . . . 16.66 109.225 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.516 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 32.8 Cg_endo -77.17 -30.61 4.18 Favored 'Trans proline' 0 C--N 1.272 -3.474 0 C-N-CA 121.766 1.644 . . . . 16.66 110.642 -179.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -70.17 -31.52 69.04 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.718 -0.845 . . . . 50.0 108.718 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 1.199 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.6 OUTLIER -73.95 -51.83 14.77 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.565 -0.743 . . . . 16.66 110.412 179.723 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -52.18 -33.19 39.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.988 -0.551 . . . . 50.0 110.859 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.0 t -54.09 -30.45 48.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.161 -0.472 . . . . 50.0 110.887 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.405 ' O ' ' OG1' ' A' ' 59' ' ' THR . 2.8 t -145.41 24.28 1.42 Allowed 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 120.586 -0.446 . . . . 50.0 112.113 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 56' ' ' CYS . 85.2 tt0 -52.49 -34.71 50.61 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.301 -0.56 . . . . 50.0 110.144 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 50.8 t0 45.78 45.37 11.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.453 . . . . 50.0 110.885 179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 61' ' ' ASP . . . . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.063 -0.97 . . . . 50.0 110.572 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.479 ' HB2' ' CA ' ' A' ' 50' ' ' GLU . . . . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.583 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 3.4 mtm105 -92.12 40.49 1.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.513 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 16.2 m -56.64 126.05 24.95 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' M3L . . . . . 0.989 HM32 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.476 0.655 . . . . 0.0 110.661 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' B' ' 7' ' ' ALA . 41.6 mt-30 -88.84 162.25 16.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.11 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.439 ' C ' ' O ' ' B' ' 5' ' ' GLN . 0.0 OUTLIER -32.51 89.93 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.026 -179.772 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' B' ' 5' ' ' GLN . . . -176.29 122.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.234 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.453 ' CG ' ' H ' ' B' ' 9' ' ' LYS . 14.7 tpt180 -159.02 -136.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.08 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' B' ' 10' ' ' SER . 25.4 tttm -136.75 -33.23 0.79 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.52 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.467 ' O ' ' O ' ' B' ' 9' ' ' LYS . 52.1 p 56.04 118.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.722 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 49.7 m -118.2 141.99 47.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.395 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.47 -166.64 17.26 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.51 33.04 23.39 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -83.16 145.96 28.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.82 0.343 . . . . 0.0 110.513 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.594 -179.894 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . 0.41 'ZN ' ' HG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -55.18 -21.73 29.37 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.697 2.265 . . . . 0.0 112.245 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.6 mt -90.59 134.26 34.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.577 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.05 42.19 78.14 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.979 -0.848 . . . . 50.0 110.979 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -56.98 -50.14 73.61 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.888 -0.325 . . . . 50.0 111.04 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -179.9 -80.33 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.12 0 CA-C-O 120.839 0.352 . . . . 50.0 111.196 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 28.1 m -81.44 143.94 31.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 50.0 111.294 -179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -108.77 -177.55 3.34 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.914 -0.584 . . . . 50.0 110.934 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 48.1 mt -63.31 174.39 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.853 -0.612 . . . . 50.0 111.867 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.429 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 25.1 m-85 -111.56 -103.66 0.39 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.227 -0.897 . . . . 25.0 110.789 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 1.231 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -36.42 120.52 0.67 Allowed 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.316 1.055 . . . . 16.66 110.597 -179.266 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.67 HG23 ' CD1' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -43.92 -5.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.437 -1.076 0 CA-C-N 112.767 -2.015 . . . . 50.0 110.691 -178.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.998 ' CB ' ' SG ' ' A' ' 37' ' ' CYS . 0.5 OUTLIER -80.88 -22.0 40.18 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 115.995 -0.548 . . . . 16.66 109.818 177.445 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.719 ' CG ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 89.81 80.2 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 113.842 1.053 . . . . 25.0 113.842 177.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.595 ' OG1' ' CE1' ' A' ' 34' ' ' HIS . 1.1 p -156.62 144.96 14.45 Favored Pre-proline 0 N--CA 1.472 0.64 0 CA-C-N 116.229 -0.441 . . . . 50.0 110.563 177.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.35 -173.82 0.88 Allowed 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.784 2.323 . . . . 50.0 111.898 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.825 ' CD1' HM23 ' B' ' 4' ' ' M3L . 0.9 OUTLIER -82.92 129.22 34.99 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 121.55 0.69 . . . . 50.0 111.098 -179.315 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.732 ' C ' ' H ' ' A' ' 20' ' ' SER . 88.5 m-20 -140.98 117.33 10.73 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.694 -1.139 . . . . 50.0 109.269 178.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -57.05 4.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.072 -0.714 . . . . 50.0 109.072 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.732 ' H ' ' C ' ' A' ' 18' ' ' ASP . 69.4 m -98.55 -4.03 35.08 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 107.835 -1.172 . . . . 50.0 107.835 178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.834 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 1.2 tptm -124.28 130.89 53.3 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 113.702 -1.59 . . . . 50.0 107.202 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -111.04 132.99 53.77 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-O 121.813 0.816 . . . . 16.66 110.888 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.808 ' CG ' HM32 ' B' ' 4' ' ' M3L . 7.1 m-85 -110.22 176.54 5.01 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 124.369 2.033 . . . . 50.0 115.74 -176.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.021 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -149.55 129.76 4.15 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.411 0 CA-C-N 109.092 -3.685 . . . . 16.66 106.866 178.56 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.5 126.58 8.07 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 120.885 -0.674 . . . . 16.66 113.671 -177.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.351 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 2.2 t -54.39 110.51 0.63 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.777 0.831 . . . . 16.66 109.858 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.536 ' OD2' ' NH1' ' A' ' 28' ' ' ARG . 65.7 t0 -48.98 -43.28 39.88 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 120.602 -0.439 . . . . 25.0 111.993 -178.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.825 ' CD ' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -113.46 -15.95 12.51 Favored 'General case' 0 CA--C 1.515 -0.376 0 C-N-CA 119.89 -0.724 . . . . 50.0 110.311 178.69 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.351 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -80.85 -28.31 36.15 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 118.724 -1.191 . . . . 16.66 108.023 178.109 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.678 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.6 OUTLIER 80.79 8.07 1.25 Allowed 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 115.83 1.789 . . . . 16.66 115.83 176.115 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -135.86 173.23 11.94 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 120.799 1.636 . . . . 50.0 114.517 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.775 ' CB ' HM33 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -101.6 147.03 26.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 116.851 2.167 . . . . 16.66 116.851 -174.793 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.721 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -139.21 154.77 48.08 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 114.026 -1.443 . . . . 50.0 108.684 171.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.9 ' CE1' ' HB3' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -73.97 135.93 43.21 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 105.826 -1.916 . . . . 16.66 105.826 176.163 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.518 ' HA3' HG22 ' A' ' 40' ' ' ILE . . . -42.85 -59.01 3.42 Favored Glycine 0 C--N 1.305 -1.171 0 C-N-CA 119.686 -1.245 . . . . 16.66 112.299 -177.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.8 mtt-85 -64.09 -33.07 74.92 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.401 0.62 . . . . 50.0 110.048 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 1.231 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 48.1 t -55.57 -16.28 3.8 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.024 -0.989 . . . . 16.66 109.509 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.572 HG12 ' CD1' ' A' ' 12' ' ' ILE . 1.3 m -129.38 8.68 2.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 115.73 -0.668 . . . . 16.66 110.367 177.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.03 48.11 10.33 Favored Glycine 0 C--N 1.337 0.605 0 CA-C-N 115.968 -0.56 . . . . 16.66 113.19 177.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.518 HG22 ' HA3' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -113.22 167.11 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 C-N-CA 120.032 -0.667 . . . . 16.66 111.107 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.563 ' N ' HD12 ' A' ' 41' ' ' LEU . 7.3 mp -62.1 165.33 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.765 -0.652 . . . . 50.0 110.152 179.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.424 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.3 OUTLIER -77.9 -55.2 5.5 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.741 -0.663 . . . . 25.0 110.393 -178.783 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.564 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 53.3 m -70.85 -15.33 62.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.599 -0.728 . . . . 50.0 109.335 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.746 ' HA ' HD11 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -41.62 -21.09 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 115.229 -0.896 . . . . 50.0 111.178 -178.575 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.716 ' O ' HG21 ' B' ' 3' ' ' THR . . . -67.08 -53.58 29.66 Favored 'General case' 0 C--N 1.308 -1.213 0 C-N-CA 120.419 -0.512 . . . . 25.0 111.088 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -86.84 -40.02 15.31 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.665 1.357 . . . . 50.0 114.665 -178.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.027 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -56.32 -24.68 45.24 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.272 0.842 . . . . 16.66 113.272 -176.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.027 ' N ' HD12 ' A' ' 47' ' ' LEU . 1.4 pp -85.42 171.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.856 0.836 . . . . 25.0 110.394 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 49' ' ' ASP . 33.5 t0 -164.15 13.83 0.05 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.156 -1.384 . . . . 50.0 108.532 -179.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -159.69 35.23 0.19 Allowed 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 113.467 -1.697 . . . . 50.0 106.426 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.751 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 14.8 t80 -66.37 148.57 51.68 Favored 'General case' 0 CA--C 1.499 -1.006 0 CA-C-N 114.851 -1.068 . . . . 16.66 110.842 -178.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.751 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 21.3 t -137.53 158.88 34.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.22 0 CA-C-N 113.482 -1.69 . . . . 50.0 109.661 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.03 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 5.3 p -76.72 160.86 75.95 Favored Pre-proline 0 N--CA 1.411 -2.394 0 N-CA-C 109.197 -0.668 . . . . 16.66 109.197 179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.539 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 33.5 Cg_endo -78.63 -32.91 1.91 Allowed 'Trans proline' 0 C--N 1.272 -3.468 0 C-N-CA 121.44 1.427 . . . . 16.66 110.191 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -68.11 -36.99 80.64 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.144 -0.687 . . . . 50.0 109.144 176.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 1.129 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -74.23 -23.02 59.11 Favored 'General case' 0 C--N 1.339 0.139 0 N-CA-C 109.859 -0.423 . . . . 16.66 109.859 179.134 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -51.07 -39.44 56.04 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.852 -0.425 . . . . 50.0 109.852 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.506 ' O ' ' OG1' ' A' ' 59' ' ' THR . 8.5 t -79.24 10.36 3.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.828 -0.624 . . . . 50.0 109.48 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.541 ' O ' ' N ' ' A' ' 61' ' ' ASP . 5.4 p 67.33 63.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.742 -0.663 . . . . 50.0 110.323 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 59' ' ' THR . 14.7 pt-20 29.95 34.03 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.488 -0.778 . . . . 50.0 112.144 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 59' ' ' THR . 95.7 m-20 -56.67 -37.42 70.81 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.646 -0.421 . . . . 50.0 110.513 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.43 0 CA-C-O 117.936 -1.031 . . . . 50.0 110.533 179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' B' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.694 ' NH2' ' O ' ' A' ' 26' ' ' CYS . 61.8 mtm-85 32.65 50.31 0.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.41 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.716 HG21 ' O ' ' A' ' 45' ' ' ALA . 26.5 m -61.88 134.9 57.27 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' M3L . . . . . 0.825 HM23 ' CD1' ' A' ' 17' ' ' TYR . . . . . . . . 0 C--N 1.323 -0.582 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 9.2 mp0 -97.0 164.2 12.63 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.048 0.451 . . . . 0.0 111.443 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.41 HG22 ' H ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -87.64 85.22 7.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.503 179.532 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -152.44 72.29 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.076 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -153.5 -175.26 5.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.545 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -44.43 135.42 4.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.276 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 32.5 t -118.66 144.54 46.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.688 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 62.9 m -119.04 144.16 46.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.374 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.29 -124.17 10.91 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.39 161.13 25.26 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 pttt -93.05 142.74 26.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 110.588 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.619 -179.885 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.448 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -53.44 144.21 51.64 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.743 2.295 . . . . 0.0 111.928 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 30.8 mt 52.22 30.57 8.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.669 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.98 46.17 1.19 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.867 -0.893 . . . . 50.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.0 p -61.06 -25.39 66.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.682 0.277 . . . . 50.0 110.922 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -56.33 163.67 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.419 -0.355 . . . . 50.0 110.43 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.7 m -81.74 130.0 34.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.936 0.398 . . . . 50.0 110.766 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -137.11 -176.62 4.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.783 -0.644 . . . . 50.0 110.177 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.9 mt -62.61 160.91 13.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.105 0.479 . . . . 50.0 110.584 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.649 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 6.1 m-85 -83.71 -95.0 0.06 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.948 0.88 . . . . 25.0 109.836 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 1.079 ' SG ' ' CB ' ' A' ' 13' ' ' CYS . 20.0 t -36.86 125.54 0.89 Allowed 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 113.677 -1.601 . . . . 16.66 112.169 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.783 HG23 ' CD1' ' A' ' 33' ' ' TYR . 19.6 pt -53.64 -6.81 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.845 0 N-CA-C 107.183 -1.414 . . . . 50.0 107.183 178.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.079 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -88.0 -16.41 33.78 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 113.474 -1.694 . . . . 16.66 110.991 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.563 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 61.1 mttm 80.73 79.44 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.762 0.653 . . . . 25.0 112.762 178.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -150.86 145.66 18.48 Favored Pre-proline 0 CA--C 1.538 0.497 0 C-N-CA 120.736 -0.385 . . . . 50.0 111.581 179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -73.82 170.68 19.49 Favored 'Trans proline' 0 N--CA 1.497 1.689 0 C-N-CA 123.178 2.585 . . . . 50.0 111.654 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.673 ' CZ ' ' CM3' ' B' ' 4' ' ' M3L . 0.9 OUTLIER -74.16 129.44 37.83 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 121.67 0.748 . . . . 50.0 111.35 -178.684 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.722 ' C ' ' H ' ' A' ' 20' ' ' SER . 77.3 m-20 -140.69 119.77 12.81 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 114.377 -1.283 . . . . 50.0 109.073 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -55.67 3.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.283 0.563 . . . . 50.0 109.541 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.722 ' H ' ' C ' ' A' ' 18' ' ' ASP . 55.9 m -95.27 -28.07 15.18 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 107.998 -1.112 . . . . 50.0 107.998 178.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.644 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -90.18 131.6 35.93 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.129 -1.396 . . . . 50.0 107.84 178.193 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CZ ' ' NE2' ' A' ' 42' ' ' GLN . 18.0 p90 -106.11 138.16 42.78 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.932 -0.766 . . . . 16.66 108.932 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.877 ' CD2' HM12 ' B' ' 4' ' ' M3L . 88.6 m-85 -116.99 169.66 9.24 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 117.142 2.275 . . . . 50.0 117.142 -174.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.026 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -143.22 128.02 15.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 CA-C-N 109.261 -3.609 . . . . 16.66 106.353 176.208 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.584 ' H ' ' HA ' ' B' ' 3' ' ' THR . . . -96.26 125.39 8.41 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 120.537 -0.84 . . . . 16.66 113.306 -177.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.3 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 1.2 t -47.53 119.68 2.86 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 114.769 -0.716 . . . . 16.66 109.677 178.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.712 ' HB2' HG22 ' A' ' 52' ' ' VAL . 58.6 t0 -53.46 -41.83 66.57 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.363 -0.535 . . . . 25.0 110.565 -179.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.52 -17.33 11.74 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 120.459 -0.496 . . . . 50.0 110.971 179.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.3 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -90.19 0.85 56.99 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 108.575 -0.898 . . . . 16.66 108.575 179.035 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.621 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 5.0 pt20 31.94 36.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 113.94 -1.482 . . . . 16.66 113.982 179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.597 ' OD1' ' OH ' ' A' ' 33' ' ' TYR . 16.6 p30 -135.18 171.2 14.77 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 119.975 -0.69 . . . . 50.0 111.302 177.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.809 ' CG ' HM13 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -119.92 153.0 36.54 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 117.393 2.368 . . . . 16.66 117.393 -173.137 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.783 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -142.07 159.75 41.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 113.507 -1.679 . . . . 50.0 110.25 174.727 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.783 ' CE1' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -67.31 146.45 54.1 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 104.025 -2.583 . . . . 16.66 104.025 174.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.548 ' C ' HG22 ' A' ' 40' ' ' ILE . . . -45.95 -51.42 10.9 Favored Glycine 0 C--N 1.304 -1.225 0 C-N-CA 118.791 -1.671 . . . . 16.66 110.728 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' H ' ' HG3' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -75.39 -18.69 59.88 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 120.763 -0.375 . . . . 50.0 110.18 179.563 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 1.065 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 3.0 t -49.84 -29.64 8.39 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.393 -0.966 . . . . 16.66 108.393 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.2 m -115.97 15.33 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.79 -1.095 . . . . 16.66 110.612 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.49 46.27 33.31 Favored Glycine 0 N--CA 1.462 0.432 0 CA-C-N 115.705 -0.68 . . . . 16.66 112.366 178.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.548 HG22 ' C ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -120.39 168.09 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.086 0.469 . . . . 16.66 111.468 -179.443 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.502 ' N ' HG23 ' A' ' 40' ' ' ILE . 63.8 mt -61.07 165.87 3.97 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-N 115.613 -0.721 . . . . 50.0 110.402 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.512 ' NE2' ' CZ ' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -79.55 -55.9 4.7 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.415 -0.811 . . . . 25.0 110.976 -179.465 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.584 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 72.7 m -67.61 -15.26 63.56 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.264 -0.88 . . . . 50.0 109.036 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.748 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -42.07 -19.94 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 115.29 -0.868 . . . . 50.0 110.288 -179.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.625 ' O ' HG21 ' B' ' 3' ' ' THR . . . -74.52 -45.04 48.31 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.905 -0.589 . . . . 25.0 110.626 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' SER . 46.8 tp10 -86.95 -45.71 10.54 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.839 1.052 . . . . 50.0 113.839 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.0 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.5 pp -55.83 -25.3 41.11 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 112.392 0.516 . . . . 16.66 112.392 -177.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.0 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -86.17 172.66 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.703 0.763 . . . . 25.0 110.398 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.7 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 23.8 t70 -161.9 25.73 0.12 Allowed 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.294 -1.321 . . . . 50.0 109.213 -179.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -170.29 39.22 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 106.574 -1.639 . . . . 50.0 106.574 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.741 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 29.9 t80 -66.0 147.15 53.8 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.813 -1.085 . . . . 16.66 111.528 -178.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.741 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 23.8 t -136.15 159.53 38.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 113.594 -1.639 . . . . 50.0 109.445 178.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.153 ' SG ' ' CB ' ' A' ' 56' ' ' CYS . 2.3 p -80.45 161.26 65.26 Favored Pre-proline 0 N--CA 1.417 -2.076 0 N-CA-C 109.344 -0.613 . . . . 16.66 109.344 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.526 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 15.9 Cg_endo -82.21 -29.74 1.46 Allowed 'Trans proline' 0 C--N 1.277 -3.19 0 C-N-CA 121.956 1.77 . . . . 16.66 112.396 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -83.05 -18.34 40.03 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.003 -1.11 . . . . 50.0 108.003 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 1.153 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 91.9 m -60.03 -45.25 93.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.185 -1.371 . . . . 16.66 111.156 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -55.99 -35.55 66.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.688 -0.687 . . . . 50.0 111.073 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.3 p -67.64 -23.85 65.39 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.724 -0.39 . . . . 50.0 109.999 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.492 ' O ' ' O ' ' A' ' 60' ' ' GLU . 96.9 m -93.9 -74.14 0.55 Allowed 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 115.911 -0.586 . . . . 50.0 111.281 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.492 ' O ' ' O ' ' A' ' 59' ' ' THR . 98.3 mt-10 56.7 141.58 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.272 -0.422 . . . . 50.0 110.858 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -55.58 -36.63 67.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 50.0 110.43 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.546 0 CA-C-O 118.1 -0.953 . . . . 50.0 110.686 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.7 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.617 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 3.4 ttm-85 -86.61 32.45 0.65 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.704 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.625 HG21 ' O ' ' A' ' 45' ' ' ALA . 5.7 m -62.84 145.73 54.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' M3L . . . . . 0.877 HM12 ' CD2' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--O 1.236 0.347 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.443 ' OE1' ' OE2' ' A' ' 46' ' ' GLU . 78.1 mm-40 -71.62 149.72 45.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.375 -179.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 4.0 t -138.62 161.47 37.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.159 179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.13 142.85 58.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.791 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.607 ' O ' ' N ' ' B' ' 10' ' ' SER . 22.2 mtp-105 -60.13 -33.93 72.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.417 ' H ' ' HG2' ' B' ' 9' ' ' LYS . 33.1 mmtp -36.39 86.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.259 -179.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.607 ' N ' ' O ' ' B' ' 8' ' ' ARG . 21.6 m -154.9 130.76 10.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.232 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 7.3 t -145.91 154.88 42.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 110.726 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.43 172.75 45.52 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.27 -170.57 54.92 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -105.49 148.18 27.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.739 0.304 . . . . 0.0 110.398 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.538 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . 0.408 'ZN ' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.422 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -64.8 137.67 54.72 Favored 'Trans proline' 0 C--N 1.306 -1.692 0 C-N-CA 122.76 2.307 . . . . 0.0 112.067 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 65.3 mt -112.49 134.14 54.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.427 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.32 -178.88 37.95 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.019 -0.832 . . . . 50.0 111.019 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.432 ' O ' ' CG ' ' A' ' 6' ' ' ASP . 85.4 p -65.53 -22.74 66.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 50.0 110.564 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 5' ' ' SER . 6.7 p-10 44.15 91.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 50.0 110.559 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 41.7 p -81.69 163.28 22.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 50.0 110.353 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -93.89 176.2 6.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.159 0.504 . . . . 50.0 111.142 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.5 mt -84.89 160.81 20.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.462 -0.79 . . . . 50.0 111.063 -179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 16.3 m-85 -106.81 -94.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.712 -0.676 . . . . 25.0 111.622 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.955 ' SG ' ' CB ' ' A' ' 37' ' ' CYS . 14.7 t -35.61 135.04 0.29 Allowed 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.207 -0.906 . . . . 16.66 112.299 -178.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.727 HG23 ' CD1' ' A' ' 33' ' ' TYR . 19.1 pt -52.01 -7.34 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 113.879 -1.509 . . . . 50.0 107.984 178.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -86.2 -22.39 26.96 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 113.403 -1.726 . . . . 16.66 110.928 -179.497 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.583 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 95.3 mttt 82.53 78.87 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.943 0.349 . . . . 25.0 111.943 179.307 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.578 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 60.7 p -149.31 147.89 24.82 Favored Pre-proline 0 N--CA 1.468 0.453 0 CA-C-O 120.686 0.279 . . . . 50.0 111.285 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.7 -179.57 3.87 Favored 'Trans proline' 0 N--CA 1.496 1.673 0 C-N-CA 122.935 2.423 . . . . 50.0 111.68 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.678 ' CZ ' ' CM3' ' B' ' 4' ' ' M3L . 0.9 OUTLIER -83.49 130.32 35.01 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 121.516 0.674 . . . . 50.0 111.027 -179.148 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.727 ' C ' ' H ' ' A' ' 20' ' ' SER . 86.4 m-20 -140.75 119.83 12.81 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-N 114.648 -1.16 . . . . 50.0 109.38 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.55 8.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.34 0.59 . . . . 50.0 109.562 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.727 ' H ' ' C ' ' A' ' 18' ' ' ASP . 32.1 m -100.73 -21.43 15.2 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.694 -1.224 . . . . 50.0 107.694 178.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.749 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 2.8 tppt? -100.21 129.56 46.24 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 113.527 -1.67 . . . . 50.0 106.713 178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 24.3 p90 -104.52 148.54 26.37 Favored 'General case' 0 CA--C 1.493 -1.214 0 C-N-CA 119.618 -0.833 . . . . 16.66 109.295 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.919 ' CD2' HM12 ' B' ' 4' ' ' M3L . 94.7 m-85 -124.6 169.48 11.88 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 117.538 2.421 . . . . 50.0 117.538 -173.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.005 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -145.81 131.28 12.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.196 0 CA-C-N 109.13 -3.668 . . . . 16.66 106.286 176.376 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.503 ' C ' ' NH2' ' B' ' 2' ' ' ARG . . . -97.87 126.23 8.8 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 120.47 -0.871 . . . . 16.66 114.269 -177.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.308 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER -52.08 113.32 0.98 Allowed 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.588 -1.264 . . . . 16.66 107.588 176.384 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.497 ' CG ' ' O ' ' A' ' 51' ' ' TYR . 83.1 m-20 -64.32 -40.6 96.23 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-O 121.678 0.752 . . . . 25.0 109.119 -179.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 -93.83 -37.25 11.85 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.315 -1.311 . . . . 50.0 110.761 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.308 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -78.41 -28.66 46.86 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 119.857 -0.737 . . . . 16.66 110.069 -179.722 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.755 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 78.03 16.79 1.33 Allowed 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.321 1.23 . . . . 16.66 114.321 177.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.624 ' ND2' ' OH ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -136.33 173.68 11.45 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 119.714 1.143 . . . . 50.0 113.451 179.495 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.783 ' CG ' HM13 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -113.21 150.9 31.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 117.563 2.431 . . . . 16.66 117.563 -173.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.727 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -141.06 163.33 33.27 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 113.478 -1.692 . . . . 50.0 109.261 172.613 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.749 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -73.91 139.5 45.0 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.202 -2.147 . . . . 16.66 105.202 176.375 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.531 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -41.65 -46.16 4.68 Favored Glycine 0 C--N 1.308 -0.987 0 C-N-CA 119.267 -1.445 . . . . 16.66 111.683 -177.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.481 ' C ' ' H ' ' A' ' 39' ' ' GLY . 1.7 ptm180 -80.31 -18.67 48.53 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.358 -0.537 . . . . 50.0 109.955 179.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 8.6 t -51.02 -28.5 10.21 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 119.272 -0.971 . . . . 16.66 108.719 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.5 m -117.79 12.84 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 114.677 -1.147 . . . . 16.66 110.459 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.481 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 71.35 46.64 40.38 Favored Glycine 0 N--CA 1.46 0.295 0 CA-C-N 115.679 -0.691 . . . . 16.66 111.957 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.531 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -114.99 168.33 6.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.121 0.486 . . . . 16.66 111.354 -179.459 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.521 ' N ' HG23 ' A' ' 40' ' ' ILE . 46.7 mt -60.94 164.45 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.573 -0.74 . . . . 50.0 110.042 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.469 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.7 OUTLIER -78.54 -55.08 5.49 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.517 -0.765 . . . . 25.0 110.207 -179.101 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.535 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 74.3 m -70.16 -14.72 62.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.221 -0.899 . . . . 50.0 109.377 179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.746 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -41.58 -20.6 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.714 0 CA-C-N 115.34 -0.846 . . . . 50.0 110.869 -178.714 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.788 ' O ' HG21 ' B' ' 3' ' ' THR . . . -75.26 -41.44 57.31 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 120.579 -0.448 . . . . 25.0 110.694 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 43' ' ' SER . 81.2 tt0 -87.66 -47.4 8.7 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.907 1.077 . . . . 50.0 113.907 -178.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.011 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.3 pp -55.46 -26.13 40.5 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.515 0.561 . . . . 16.66 112.515 -177.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.011 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -86.14 172.52 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.527 0.679 . . . . 25.0 109.788 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.709 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 47.0 t0 -154.02 0.46 0.22 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 114.653 -1.158 . . . . 50.0 109.707 -178.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -147.98 44.8 1.08 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.197 -1.408 . . . . 50.0 107.197 178.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.644 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 21.6 t80 -66.49 142.57 57.5 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 114.951 -1.022 . . . . 16.66 111.175 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.644 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 14.8 t -133.02 158.85 43.37 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.279 0 CA-C-N 113.606 -1.634 . . . . 50.0 108.159 177.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.003 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 6.7 p -80.25 161.0 66.73 Favored Pre-proline 0 N--CA 1.414 -2.227 0 CA-C-O 121.595 0.712 . . . . 16.66 109.997 -178.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.588 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 25.0 Cg_endo -79.14 -25.4 5.96 Favored 'Trans proline' 0 C--N 1.276 -3.244 0 C-N-CA 122.108 1.872 . . . . 16.66 110.657 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -74.57 -30.45 61.72 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.029 -0.987 . . . . 50.0 108.504 177.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -86.23 -47.01 9.82 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.496 -0.775 . . . . 16.66 111.245 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.441 ' CG ' ' N ' ' A' ' 58' ' ' SER . 10.5 pt20 -49.87 -41.59 45.8 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.734 -0.386 . . . . 50.0 110.63 -178.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.441 ' N ' ' CG ' ' A' ' 57' ' ' GLN . 19.7 t -60.93 -36.89 80.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.225 -0.443 . . . . 50.0 110.155 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.0 m -62.8 -41.69 99.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 50.0 111.069 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -96.21 150.74 20.2 Favored 'General case' 0 N--CA 1.462 0.17 0 C-N-CA 120.817 -0.353 . . . . 50.0 110.962 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -56.57 -37.75 71.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 50.0 110.842 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.567 0 CA-C-O 117.993 -1.004 . . . . 50.0 110.555 -179.942 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.709 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.729 HH21 ' N ' ' A' ' 26' ' ' CYS . 21.9 mtm105 -88.96 25.37 1.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.965 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.788 HG21 ' O ' ' A' ' 45' ' ' ALA . 18.0 m -54.1 132.71 43.34 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.581 -0.447 . . . . 0.0 109.831 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' M3L . . . . . 0.919 HM12 ' CD2' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.324 -0.52 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -95.42 142.73 27.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.098 0.475 . . . . 0.0 112.03 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.619 HG22 ' OH ' ' A' ' 17' ' ' TYR . 39.9 p -121.31 22.89 10.67 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.516 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.35 179.24 0.05 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.497 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 42.51 39.43 1.55 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.503 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -58.94 -34.49 71.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.664 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 32.3 t -115.33 145.03 42.89 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.547 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 48.1 m -118.21 134.71 54.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.418 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.51 -176.15 45.88 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 58.68 -87.26 0.02 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -82.19 145.09 30.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.493 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.574 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . 0.442 'ZN ' ' HG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.458 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.492 2.388 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 41.7 Cg_exo -54.35 -20.32 19.75 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.794 2.329 . . . . 0.0 112.043 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.716 HD13 ' N ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -88.88 128.47 35.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.777 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.716 ' N ' HD13 ' A' ' 3' ' ' LEU . . . -155.28 -163.7 12.36 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.812 -0.915 . . . . 50.0 110.812 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -57.92 -27.53 63.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 50.0 110.342 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.407 ' OD2' ' C ' ' A' ' 6' ' ' ASP . 52.4 p30 -75.51 -177.71 3.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 50.0 110.461 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.9 p -112.99 162.22 16.12 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.336 -0.393 . . . . 50.0 110.712 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -90.82 154.1 19.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.86 -0.609 . . . . 50.0 110.94 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.686 HD22 ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -62.36 -174.51 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.644 -0.707 . . . . 50.0 110.746 179.678 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.686 ' N ' HD22 ' A' ' 9' ' ' LEU . 2.8 m-85 -57.04 -117.53 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 CA-C-O 121.682 0.753 . . . . 25.0 112.461 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 1.02 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 2.3 t -34.52 124.74 0.52 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.429 -1.26 . . . . 16.66 113.568 -178.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.622 HG23 ' CD1' ' A' ' 33' ' ' TYR . 18.2 pt -55.8 -7.12 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 112.56 -2.109 . . . . 50.0 109.343 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.015 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -78.56 -17.33 56.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.676 -1.147 . . . . 16.66 110.679 -179.648 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.581 ' CG ' ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 90.11 36.84 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.531 0.52 . . . . 25.0 112.339 179.03 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.22 126.75 24.28 Favored Pre-proline 0 CA--C 1.542 0.651 0 O-C-N 122.216 -0.302 . . . . 50.0 110.852 178.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -66.91 -162.35 0.06 OUTLIER 'Trans proline' 0 N--CA 1.5 1.897 0 C-N-CA 122.531 2.154 . . . . 50.0 112.252 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.783 ' CE1' HM33 ' B' ' 4' ' ' M3L . 0.5 OUTLIER -76.31 131.78 39.41 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.735 0.779 . . . . 50.0 111.622 -178.293 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.767 ' C ' ' H ' ' A' ' 20' ' ' SER . 75.7 m-20 -140.83 112.84 7.75 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.179 -1.373 . . . . 50.0 107.775 177.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -54.78 7.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.176 0.512 . . . . 50.0 110.15 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.767 ' H ' ' C ' ' A' ' 18' ' ' ASP . 3.6 t -106.9 -3.99 19.65 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.965 -1.124 . . . . 50.0 107.965 178.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.849 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -120.24 134.01 55.35 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 114.095 -1.412 . . . . 50.0 108.503 -179.886 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.462 ' O ' ' HA ' ' A' ' 34' ' ' HIS . 35.6 p90 -110.8 137.07 48.91 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-O 121.77 0.795 . . . . 16.66 110.606 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 1.0 ' CG ' HM12 ' B' ' 4' ' ' M3L . 26.4 m-85 -113.88 174.48 5.91 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 116.395 1.998 . . . . 50.0 116.395 -176.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.046 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -144.56 135.14 20.31 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 CA-C-N 109.468 -3.514 . . . . 16.66 107.058 177.712 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -95.79 126.52 8.81 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 120.755 -0.736 . . . . 16.66 113.775 -178.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.336 ' CB ' ' SG ' ' A' ' 29' ' ' CYS . 7.4 t -54.96 121.46 8.72 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.394 0.678 . . . . 16.66 109.564 177.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.693 ' HB2' HG22 ' A' ' 52' ' ' VAL . 57.6 t0 -54.58 -34.96 62.78 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.604 -0.438 . . . . 25.0 110.845 -179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.4 ' NE ' ' CG2' ' A' ' 59' ' ' THR . 0.1 OUTLIER -109.16 -37.22 5.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.269 -0.423 . . . . 50.0 110.75 -179.721 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.336 ' SG ' ' CB ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.16 -4.7 45.94 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 121.369 0.604 . . . . 16.66 110.203 -179.041 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 29' ' ' CYS . 3.8 pp0? 34.85 34.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.991 -1.004 . . . . 16.66 112.373 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.425 ' O ' ' HA2' ' A' ' 25' ' ' GLY . 19.7 p30 -133.72 170.74 15.12 Favored 'General case' 0 CA--C 1.504 -0.793 0 C-N-CA 120.598 -0.441 . . . . 50.0 110.541 178.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.801 ' CB ' HM13 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -123.02 153.7 39.47 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 116.512 2.041 . . . . 16.66 116.512 -174.014 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.753 ' O ' ' CD1' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -139.87 157.46 45.68 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 113.61 -1.632 . . . . 50.0 109.236 173.894 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 1.006 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 0.3 OUTLIER -69.5 143.9 53.33 Favored 'General case' 0 N--CA 1.435 -1.185 0 N-CA-C 105.651 -1.981 . . . . 16.66 105.651 176.124 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.544 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.64 -55.71 4.51 Favored Glycine 0 C--N 1.309 -0.937 0 C-N-CA 119.553 -1.308 . . . . 16.66 111.78 -177.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.509 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -73.82 -19.25 60.8 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.741 -0.384 . . . . 50.0 110.02 179.565 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 1.02 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.7 t -50.26 -28.87 8.43 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 108.648 -0.871 . . . . 16.66 108.648 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.6 m -119.26 11.74 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 114.851 -1.068 . . . . 16.66 110.145 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 73.33 46.5 26.3 Favored Glycine 0 CA--C 1.518 0.237 0 CA-C-N 115.495 -0.775 . . . . 16.66 112.307 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.544 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -113.93 168.08 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.061 0.458 . . . . 16.66 111.025 -179.687 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.518 ' N ' HG23 ' A' ' 40' ' ' ILE . 33.7 mt -61.48 165.74 4.59 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.643 -0.708 . . . . 50.0 110.338 179.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.421 ' CA ' HE21 ' A' ' 42' ' ' GLN . 0.4 OUTLIER -79.67 -55.93 4.66 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.459 -0.791 . . . . 25.0 110.966 -179.361 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.629 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 74.7 m -67.35 -16.02 64.02 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.481 -0.781 . . . . 50.0 109.027 179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.743 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.1 tm-20 -42.11 -20.47 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 115.435 -0.802 . . . . 50.0 110.377 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.811 ' O ' HG21 ' B' ' 3' ' ' THR . . . -72.09 -48.91 40.56 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 115.914 -0.585 . . . . 25.0 110.681 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 43' ' ' SER . 49.9 mt-10 -87.96 -43.06 12.04 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 114.441 1.274 . . . . 50.0 114.441 -178.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.048 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -55.43 -26.02 39.57 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.294 0.479 . . . . 16.66 112.294 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.048 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.2 pp -85.76 172.3 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.56 0.695 . . . . 25.0 109.95 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.558 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 49.7 t0 -159.23 10.59 0.13 Allowed 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.695 -1.139 . . . . 50.0 109.41 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.405 ' N ' ' HB2' ' B' ' 1' ' ' ALA . 20.7 pt-20 -158.29 41.56 0.27 Allowed 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 106.337 -1.727 . . . . 50.0 106.337 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.692 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 27.8 t80 -66.19 146.89 54.11 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.556 -1.202 . . . . 16.66 111.383 -178.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.693 HG22 ' HB2' ' A' ' 27' ' ' ASP . 21.7 t -135.61 157.3 39.16 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.149 0 CA-C-N 113.549 -1.659 . . . . 50.0 109.025 178.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.311 ' CB ' ' HG ' ' A' ' 26' ' ' CYS . 1.8 p -79.06 161.96 66.33 Favored Pre-proline 0 N--CA 1.416 -2.145 0 N-CA-C 108.79 -0.818 . . . . 16.66 108.79 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.479 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 21.0 Cg_endo -82.87 -29.32 1.33 Allowed 'Trans proline' 0 C--N 1.276 -3.246 0 C-N-CA 121.721 1.614 . . . . 16.66 111.377 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -73.79 -30.36 62.7 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.537 -0.912 . . . . 50.0 108.537 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.963 ' CB ' ' SG ' ' A' ' 53' ' ' CYS . 10.6 m -63.08 -37.28 86.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.949 -1.023 . . . . 16.66 109.665 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -57.48 -27.12 62.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.556 -0.747 . . . . 50.0 111.006 -179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.6 m -45.8 -32.59 2.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.295 -0.411 . . . . 50.0 110.497 -179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.4 ' CG2' ' NE ' ' A' ' 28' ' ' ARG . 3.3 t -132.96 -7.64 3.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.424 -0.353 . . . . 50.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -105.05 144.35 31.98 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.885 0.374 . . . . 50.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 61' ' ' ASP . 53.5 p30 -98.52 166.61 11.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.499 . . . . 50.0 110.386 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.033 -0.984 . . . . 50.0 110.644 179.931 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.558 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.6 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 37.6 mtm180 33.99 41.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.507 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.811 HG21 ' O ' ' A' ' 45' ' ' ALA . 18.9 m -70.23 136.53 50.04 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 178.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' M3L . . . . . 1.0 HM12 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 121.103 0.478 . . . . 0.0 110.062 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.502 ' C ' ' H ' ' B' ' 7' ' ' ALA . 8.7 pt20 -146.95 167.55 23.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.981 0.42 . . . . 0.0 111.149 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 15.1 t -72.16 22.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.068 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' B' ' 5' ' ' GLN . . . -133.29 81.47 1.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.401 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -127.54 131.67 50.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.759 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -131.02 162.74 29.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.072 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 27.3 t -63.11 136.13 57.6 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.566 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 59.5 p -127.53 166.18 18.48 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.622 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.5 90.84 0.18 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.93 173.45 46.61 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -59.7 -38.35 81.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.702 0.287 . . . . 0.0 110.561 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.944 -1.026 . . . . 0.0 110.618 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.364 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -55.18 133.74 59.82 Favored 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 122.552 2.168 . . . . 0.0 111.723 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 29.8 tp -118.44 140.6 49.61 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.862 0.363 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.05 166.13 25.88 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.057 -0.817 . . . . 50.0 111.057 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 t -137.1 27.72 2.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.799 0.333 . . . . 50.0 110.607 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.456 ' C ' ' OD1' ' A' ' 6' ' ' ASP . 41.7 p30 -139.01 -173.48 3.59 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.389 -0.369 . . . . 50.0 110.847 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.6 p -118.78 170.24 9.16 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.049 -0.523 . . . . 50.0 110.647 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -135.12 154.02 51.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.355 0.597 . . . . 50.0 111.685 -179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.839 HD22 ' N ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -63.15 -172.51 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.089 -0.959 . . . . 50.0 110.469 179.206 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.839 ' N ' HD22 ' A' ' 9' ' ' LEU . 1.5 m-85 -60.72 -122.63 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 -177.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 1.072 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 1.2 t -33.66 124.39 0.44 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.201 -1.363 . . . . 16.66 112.975 -178.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.711 HG23 ' CD1' ' A' ' 33' ' ' TYR . 20.2 pt -52.77 -6.99 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-N 112.385 -2.189 . . . . 50.0 109.153 178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.042 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -83.12 -3.58 57.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.431 -1.259 . . . . 16.66 109.939 179.587 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.7 mttm 67.57 58.14 0.53 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.756 -0.657 . . . . 25.0 112.412 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 m -141.0 121.28 8.66 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 120.866 -0.334 . . . . 50.0 111.292 178.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -50.29 -174.43 0.01 OUTLIER 'Trans proline' 0 N--CA 1.502 1.978 0 C-N-CA 123.359 2.706 . . . . 50.0 113.366 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.695 ' CZ ' HM13 ' B' ' 4' ' ' M3L . 0.9 OUTLIER -78.9 131.27 36.34 Favored 'General case' 0 CA--C 1.506 -0.727 0 CA-C-O 121.48 0.657 . . . . 50.0 111.238 -179.296 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.727 ' C ' ' H ' ' A' ' 20' ' ' SER . 94.6 m-20 -141.56 117.02 10.2 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.618 -1.174 . . . . 50.0 108.457 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.567 ' OE2' ' O ' ' B' ' 9' ' ' LYS . 96.4 mt-10 -53.52 4.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.17 0.509 . . . . 50.0 110.233 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.727 ' H ' ' C ' ' A' ' 18' ' ' ASP . 5.8 m -98.18 -12.79 21.34 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 107.972 -1.121 . . . . 50.0 107.972 178.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.853 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -111.99 134.67 53.4 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 113.852 -1.522 . . . . 50.0 108.69 179.629 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.46 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 49.0 p90 -112.18 128.87 56.36 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 122.067 0.936 . . . . 16.66 110.759 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.742 ' HB2' ' HB2' ' B' ' 4' ' ' M3L . 40.3 m-85 -104.26 174.76 5.73 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 116.3 1.963 . . . . 50.0 116.3 -175.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.986 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -149.51 128.49 3.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 CA-C-N 109.482 -3.508 . . . . 16.66 106.571 177.765 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -88.49 122.29 6.3 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 114.75 0.66 . . . . 16.66 114.75 -177.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.458 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -49.48 113.38 0.81 Allowed 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.434 -1.691 . . . . 16.66 106.434 175.454 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.586 ' H ' ' HA ' ' A' ' 52' ' ' VAL . 64.2 t0 -62.83 -37.09 85.4 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-O 121.904 0.859 . . . . 25.0 108.997 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.57 ' NE ' ' O ' ' A' ' 59' ' ' THR . 32.6 ttt-85 -96.47 -40.94 8.83 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.09 -1.413 . . . . 50.0 110.569 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.313 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.1 -24.31 51.79 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 119.996 -0.682 . . . . 16.66 110.554 -178.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.755 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 68.29 25.03 7.23 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.04 0.755 . . . . 16.66 113.04 178.357 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.588 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 26.3 p30 -134.44 170.86 15.12 Favored 'General case' 0 CA--C 1.512 -0.507 0 C-N-CA 120.363 -0.535 . . . . 50.0 111.499 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 1.042 ' CD1' HM32 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -120.23 150.17 41.1 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 115.825 1.787 . . . . 16.66 115.825 -175.145 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.711 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -137.59 160.27 39.65 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.193 -1.367 . . . . 50.0 109.113 174.208 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.853 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -73.85 142.26 46.08 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 105.162 -2.162 . . . . 16.66 105.162 175.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.508 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.08 -53.66 4.68 Favored Glycine 0 C--N 1.306 -1.117 0 C-N-CA 119.648 -1.263 . . . . 16.66 112.117 -177.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.516 ' C ' ' H ' ' A' ' 39' ' ' GLY . 2.8 ptt180 -75.22 -20.4 59.27 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 120.575 -0.45 . . . . 50.0 110.054 179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 1.072 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 1.8 t -51.43 -26.75 8.6 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 108.807 -0.812 . . . . 16.66 108.807 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.7 m -121.13 8.1 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 114.705 -1.134 . . . . 16.66 110.079 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.516 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 74.41 47.04 17.79 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-N 115.707 -0.679 . . . . 16.66 111.718 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.508 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -112.35 165.95 6.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.735 -0.386 . . . . 16.66 110.607 -179.335 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.871 ' N ' ' OE2' ' A' ' 44' ' ' GLU . 90.1 mt -59.17 164.57 3.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.298 0.57 . . . . 50.0 109.668 178.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.435 HE21 ' HB3' ' A' ' 42' ' ' GLN . 0.5 OUTLIER -78.78 -55.5 5.12 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.317 -0.856 . . . . 25.0 110.618 -178.513 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.61 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 73.8 m -70.78 -15.79 62.7 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 115.095 -0.957 . . . . 50.0 109.653 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.871 ' OE2' ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -42.98 -19.13 0.02 OUTLIER 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.601 -0.727 . . . . 50.0 111.124 -178.158 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.709 ' O ' HG21 ' B' ' 3' ' ' THR . . . -71.15 -50.42 33.59 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.637 -0.425 . . . . 25.0 111.605 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -87.19 -41.12 13.98 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.235 1.198 . . . . 50.0 114.235 -178.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.037 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.4 pp -56.27 -23.99 39.94 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 112.12 0.415 . . . . 16.66 112.12 -178.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.037 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.1 pp -85.7 171.54 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.417 0.627 . . . . 25.0 109.793 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.582 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 37.8 t0 -160.75 20.29 0.13 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 114.905 -1.043 . . . . 50.0 109.44 -178.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.408 ' N ' ' HB2' ' B' ' 1' ' ' ALA . 0.8 OUTLIER -169.93 39.61 0.02 OUTLIER 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 106.05 -1.833 . . . . 50.0 106.05 179.518 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.666 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 28.2 t80 -66.15 143.06 57.52 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.454 -1.248 . . . . 16.66 111.487 -178.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.666 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 14.4 t -131.02 159.22 43.18 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 113.709 -1.587 . . . . 50.0 108.643 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.458 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 5.7 p -81.75 159.4 66.39 Favored Pre-proline 0 N--CA 1.413 -2.287 0 CA-C-O 121.252 0.549 . . . . 16.66 109.578 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.479 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 26.1 Cg_endo -81.8 -25.71 3.43 Favored 'Trans proline' 0 C--N 1.277 -3.188 0 C-N-CA 121.686 1.59 . . . . 16.66 109.754 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -69.2 -36.45 77.29 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.395 -1.335 . . . . 50.0 107.395 176.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 1.168 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -81.52 -34.58 31.12 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.112 -0.949 . . . . 16.66 109.661 178.512 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -51.51 -36.27 44.01 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.943 -0.571 . . . . 50.0 110.812 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.5 p -59.15 -20.49 54.17 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.573 -0.451 . . . . 50.0 109.983 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.57 ' O ' ' NE ' ' A' ' 28' ' ' ARG . 1.8 m -143.17 46.9 1.53 Allowed 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.254 -0.43 . . . . 50.0 111.761 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -41.16 -33.06 0.31 Allowed 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.924 0.393 . . . . 50.0 110.304 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -81.72 119.99 24.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.024 -0.534 . . . . 50.0 110.685 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.957 -1.02 . . . . 50.0 110.628 -179.892 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.582 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.551 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 75.4 mtm-85 -96.27 58.53 1.81 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.923 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.709 HG21 ' O ' ' A' ' 45' ' ' ALA . 15.1 m -67.75 131.76 46.16 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' M3L . . . . . 1.042 HM32 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 C--N 1.326 -0.42 0 CA-C-O 121.169 0.509 . . . . 0.0 109.679 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.469 ' O ' ' OH ' ' A' ' 17' ' ' TYR . 0.3 OUTLIER -114.41 -173.92 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.671 -179.241 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 3.5 t -67.46 172.34 5.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.131 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -148.74 161.69 41.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.387 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -54.65 -41.4 70.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . 0.567 ' O ' ' OE2' ' A' ' 19' ' ' GLU . 28.6 mttt -149.69 -75.09 0.16 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.63 0.252 . . . . 0.0 110.968 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 33.0 t -154.67 149.84 27.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 0.0 111.14 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 28.5 p -114.56 12.93 17.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.07 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.34 -41.56 95.14 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.15 13.3 82.18 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -56.34 -34.79 66.93 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.693 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.543 179.867 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . 0.459 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.413 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.45 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.492 2.379 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 1' ' ' GLY . 43.2 Cg_exo -53.85 156.0 13.2 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.762 2.308 . . . . 0.0 111.764 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.52 HD22 ' N ' ' A' ' 3' ' ' LEU . 3.5 mm? -56.25 110.02 0.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.894 0.378 . . . . 0.0 110.158 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.65 174.6 50.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.935 -0.866 . . . . 50.0 110.935 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 p -88.26 4.84 44.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 50.0 110.543 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -62.77 138.74 58.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 50.0 110.896 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.503 ' OG1' ' OH ' ' A' ' 10' ' ' TYR . 46.6 p -130.53 176.34 8.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.966 -0.561 . . . . 50.0 110.772 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.571 ' O ' ' CE1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -116.86 -176.11 2.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.747 -0.661 . . . . 50.0 110.641 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.9 mt -62.31 159.09 15.81 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.166 0.507 . . . . 50.0 111.787 -178.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.571 ' CE1' ' O ' ' A' ' 8' ' ' LYS . 17.4 m-85 -122.54 -91.57 0.55 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.845 -0.616 . . . . 25.0 111.418 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.977 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 7.1 t -37.17 137.0 0.39 Allowed 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 122.02 0.914 . . . . 16.66 112.325 -178.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.846 HG23 ' CD2' ' A' ' 33' ' ' TYR . 23.6 pt -52.1 -6.53 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.754 -1.566 . . . . 50.0 107.997 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -87.18 -22.33 25.36 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 113.552 -1.658 . . . . 16.66 110.826 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.57 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 31.4 mttm 82.93 78.99 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.289 0.478 . . . . 25.0 112.289 179.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.494 ' HG1' ' CE1' ' A' ' 34' ' ' HIS . 0.5 OUTLIER -148.77 158.08 40.07 Favored Pre-proline 0 N--CA 1.47 0.561 0 CA-C-O 120.799 0.333 . . . . 50.0 111.7 179.698 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -78.39 179.12 6.79 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 123.232 2.621 . . . . 50.0 111.991 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.658 ' CZ ' ' CM1' ' B' ' 4' ' ' M3L . 0.8 OUTLIER -82.52 131.6 35.21 Favored 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 121.466 0.65 . . . . 50.0 110.835 -179.551 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.719 ' C ' ' H ' ' A' ' 20' ' ' SER . 95.7 m-20 -140.38 118.91 12.25 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 114.844 -1.071 . . . . 50.0 109.055 178.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -58.88 8.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.366 0.603 . . . . 50.0 109.528 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.719 ' H ' ' C ' ' A' ' 18' ' ' ASP . 13.7 m -103.24 -10.41 18.77 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.77 -1.196 . . . . 50.0 107.77 178.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.653 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -115.47 129.48 56.57 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 113.487 -1.688 . . . . 50.0 106.447 179.047 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -108.76 147.22 32.34 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 119.506 -0.878 . . . . 16.66 108.958 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.89 ' CG ' HM22 ' B' ' 4' ' ' M3L . 43.7 m-85 -122.9 173.08 8.01 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.916 2.191 . . . . 50.0 116.916 -174.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.068 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -145.1 128.52 11.45 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-N 108.899 -3.773 . . . . 16.66 106.907 176.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.408 ' H ' ' HA ' ' B' ' 3' ' ' THR . . . -91.29 121.19 6.22 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 121.242 -0.504 . . . . 16.66 114.277 -176.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.461 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 0.7 OUTLIER -47.67 107.85 0.14 Allowed 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.344 -0.984 . . . . 16.66 108.344 176.615 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.63 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 88.1 m-20 -65.08 -33.63 76.49 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 121.381 0.61 . . . . 25.0 109.708 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.73 -24.37 15.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.174 -0.921 . . . . 50.0 110.394 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.288 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -96.27 -29.66 13.88 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 120.132 -0.627 . . . . 16.66 110.391 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.773 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER 82.02 16.12 0.45 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.173 1.175 . . . . 16.66 114.173 178.133 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.509 ' OD1' ' CE2' ' A' ' 33' ' ' TYR . 4.3 p30 -135.92 173.04 12.15 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-N 119.613 1.097 . . . . 50.0 112.606 179.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.871 ' CG ' HM23 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -114.77 152.11 32.64 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 117.31 2.337 . . . . 16.66 117.31 -174.332 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.846 ' CD2' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -141.01 161.42 37.89 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-N 114.169 -1.378 . . . . 50.0 109.005 172.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.717 ' O ' ' N ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -76.66 133.19 39.65 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 106.845 -1.539 . . . . 16.66 106.845 177.46 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.801 ' HA3' HG22 ' A' ' 40' ' ' ILE . . . -41.14 -38.63 1.87 Allowed Glycine 0 C--N 1.304 -1.196 0 C-N-CA 119.724 -1.227 . . . . 16.66 110.373 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.613 ' H ' ' HD2' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -67.62 -34.28 76.66 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 108.798 -0.816 . . . . 50.0 108.798 177.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.979 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 1.7 t -69.09 -49.7 54.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.381 -1.282 . . . . 16.66 110.712 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 34' ' ' HIS . 0.1 OUTLIER -81.92 -22.39 9.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 114.25 -1.341 . . . . 16.66 109.85 -179.796 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 86.11 44.64 5.9 Favored Glycine 0 CA--C 1.521 0.417 0 N-CA-C 109.693 -1.363 . . . . 16.66 109.693 -178.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.801 HG22 ' HA3' ' A' ' 35' ' ' GLY . 2.0 tp -106.6 164.12 4.66 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-O 121.2 0.524 . . . . 16.66 111.588 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.769 ' O ' HG23 ' A' ' 40' ' ' ILE . 78.8 mt -63.52 166.78 6.27 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.126 -0.943 . . . . 50.0 108.937 177.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.455 ' HA ' HE21 ' A' ' 42' ' ' GLN . 0.5 OUTLIER -77.74 -54.93 5.77 Favored 'General case' 0 C--N 1.306 -1.297 0 C-N-CA 120.03 -0.668 . . . . 25.0 111.114 -178.56 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.457 ' C ' ' N ' ' A' ' 45' ' ' ALA . 50.7 m -70.17 -16.66 63.11 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.347 -0.842 . . . . 50.0 110.127 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.844 ' HA ' HD11 ' A' ' 47' ' ' LEU . 2.8 mt-10 -45.62 -18.3 0.04 OUTLIER 'General case' 0 C--O 1.216 -0.682 0 C-N-CA 120.432 -0.507 . . . . 50.0 110.994 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.921 ' O ' HG21 ' B' ' 3' ' ' THR . . . -56.0 -58.65 7.01 Favored 'General case' 0 C--N 1.309 -1.175 0 C-N-CA 120.169 -0.612 . . . . 25.0 110.955 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -89.48 -42.64 11.35 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.776 1.769 . . . . 50.0 115.776 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.88 HD12 ' N ' ' A' ' 48' ' ' ILE . 3.3 pp -55.08 -28.45 52.5 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 114.661 1.356 . . . . 16.66 114.661 -175.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.88 ' N ' HD12 ' A' ' 47' ' ' LEU . 1.7 pp -85.3 172.52 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-O 121.726 0.774 . . . . 25.0 110.07 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.596 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 20.4 t70 -159.0 6.92 0.11 Allowed 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.391 -1.277 . . . . 50.0 109.373 -179.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -147.97 34.28 0.83 Allowed 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 114.157 -1.383 . . . . 50.0 107.387 178.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.68 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 5.7 t80 -66.0 147.08 53.91 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 115.226 -0.897 . . . . 16.66 109.787 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.68 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 21.6 t -134.79 155.92 39.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-N 114.569 -1.196 . . . . 50.0 109.576 178.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.461 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 5.9 p -76.9 157.56 81.51 Favored Pre-proline 0 N--CA 1.415 -2.216 0 CA-C-O 121.454 0.645 . . . . 16.66 110.046 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 27.4 Cg_endo -79.35 -27.78 4.08 Favored 'Trans proline' 0 C--N 1.276 -3.237 0 C-N-CA 121.921 1.747 . . . . 16.66 110.738 -179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -72.18 -32.58 66.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.107 -1.071 . . . . 50.0 108.107 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 1.138 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 3.5 m -65.07 -40.48 94.73 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 114.777 -1.101 . . . . 16.66 110.573 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -53.78 -26.53 24.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.737 -0.665 . . . . 50.0 110.937 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.7 p -64.28 -27.2 68.88 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.622 -0.431 . . . . 50.0 110.47 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.6 m -96.09 -68.95 0.77 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.3 -0.409 . . . . 50.0 111.468 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 58.47 -113.45 0.7 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.429 -0.351 . . . . 50.0 110.705 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.573 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 93.9 m-20 55.19 92.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.384 -0.371 . . . . 50.0 110.58 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 61' ' ' ASP . . . . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.988 -1.006 . . . . 50.0 110.6 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.596 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.63 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 85.0 mtm-85 -100.71 34.38 2.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.921 HG21 ' O ' ' A' ' 45' ' ' ALA . 24.5 m -62.95 138.41 58.55 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' M3L . . . . . 0.89 HM22 ' CG ' ' A' ' 23' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.535 0.683 . . . . 0.0 110.367 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.908 ' H ' HE21 ' B' ' 5' ' ' GLN . 0.0 OUTLIER -60.22 -139.02 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.118 -179.679 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -128.3 158.21 38.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.299 -179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' B' ' 8' ' ' ARG . . . -157.06 162.04 39.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.999 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' B' ' 7' ' ' ALA . 13.8 tpt180 58.92 117.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -95.0 121.83 37.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.737 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.57 ' O ' ' N ' ' B' ' 12' ' ' GLY . 83.2 p -69.32 -26.89 64.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.631 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 84.9 m 44.28 -86.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' B' ' 10' ' ' SER . . . 85.32 -162.65 36.75 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.15 122.76 28.81 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' B' ' 15' ' ' ALA . 18.3 ptmt -62.86 -36.57 83.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.802 0.334 . . . . 0.0 110.831 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' B' ' 14' ' ' LYS . . . . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.533 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . 0.455 'ZN ' ' SG ' ' A' ' 26' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.33 141.52 82.01 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 122.771 2.314 . . . . 0.0 112.156 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -101.51 143.65 31.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.791 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 5' ' ' SER . . . -151.55 -178.13 26.0 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.851 -0.9 . . . . 50.0 110.851 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.463 ' O ' ' O ' ' A' ' 4' ' ' GLY . 3.8 t 54.67 160.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.881 0.372 . . . . 50.0 110.507 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 55.35 80.47 0.13 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.377 -0.374 . . . . 50.0 110.328 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -81.07 169.18 17.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.455 0.645 . . . . 50.0 111.662 -179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.443 ' HG3' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -74.39 -175.26 2.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.86 -1.064 . . . . 50.0 112.325 -179.396 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.985 ' H ' HD12 ' A' ' 9' ' ' LEU . 3.6 mp -62.06 -174.71 0.06 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 114.64 -1.164 . . . . 50.0 111.802 -178.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.55 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 14.8 m-85 -62.96 -111.04 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.825 0.822 . . . . 25.0 111.686 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 1.141 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -34.37 128.85 0.41 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.323 -1.308 . . . . 16.66 112.498 -178.665 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.793 HG23 ' CD2' ' A' ' 33' ' ' TYR . 27.6 pt -50.14 -6.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 113.121 -1.854 . . . . 50.0 109.201 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.035 ' CB ' ' SG ' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -87.8 -3.72 58.93 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.668 -1.151 . . . . 16.66 110.79 -179.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 43.1 mttp 69.41 79.22 0.2 Allowed 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.78 0.659 . . . . 25.0 112.78 179.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -160.67 143.42 9.67 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 120.79 -0.364 . . . . 50.0 111.222 179.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.49 -170.05 0.54 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.648 2.232 . . . . 50.0 111.051 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.765 ' CZ ' HM33 ' B' ' 4' ' ' M3L . 0.8 OUTLIER -82.79 129.6 35.01 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 121.598 0.713 . . . . 50.0 111.195 -179.175 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.742 ' C ' ' H ' ' A' ' 20' ' ' SER . 80.9 m-20 -140.47 115.14 9.51 Favored 'General case' 0 C--N 1.305 -1.343 0 CA-C-N 114.485 -1.234 . . . . 50.0 108.939 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -56.6 6.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.311 0.577 . . . . 50.0 109.683 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.742 ' H ' ' C ' ' A' ' 18' ' ' ASP . 55.9 m -100.63 -5.64 26.37 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 107.517 -1.29 . . . . 50.0 107.517 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.736 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 1.4 tptp -123.99 130.49 52.66 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 113.13 -1.85 . . . . 50.0 106.858 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 46.6 p90 -112.12 132.05 55.09 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 122.051 0.929 . . . . 16.66 111.05 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.649 ' CG ' ' CM1' ' B' ' 4' ' ' M3L . 26.1 m-85 -108.05 174.87 5.69 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 116.76 2.134 . . . . 50.0 116.76 -175.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.02 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -148.02 137.07 15.74 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 CA-C-N 108.894 -3.775 . . . . 16.66 105.972 177.634 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -101.09 124.27 8.19 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 120.252 -0.975 . . . . 16.66 114.889 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.266 ' SG ' ' CB ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -47.86 122.18 4.78 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.65 0.78 . . . . 16.66 109.433 176.753 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.546 ' O ' ' NH2' ' B' ' 2' ' ' ARG . 76.1 m-20 -58.17 -38.55 76.88 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.007 -0.677 . . . . 25.0 111.078 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.577 ' H ' ' HD3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -112.51 -30.08 7.26 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 120.977 -0.289 . . . . 50.0 110.611 179.523 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.266 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -71.14 -21.85 62.14 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 108.38 -0.97 . . . . 16.66 108.38 179.002 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.704 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 0.0 OUTLIER 65.26 16.12 10.37 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.671 1.36 . . . . 16.66 114.671 177.228 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -135.01 173.28 11.9 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 114.299 1.222 . . . . 50.0 114.299 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.886 ' CD1' HM22 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -108.11 145.88 33.45 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 117.621 2.452 . . . . 16.66 117.621 -173.47 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.793 ' CD2' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -138.55 155.23 48.56 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 113.129 -1.851 . . . . 50.0 108.599 172.676 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.898 ' CE1' ' HG ' ' A' ' 37' ' ' CYS . 1.4 m80 -69.46 141.44 54.0 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 105.891 -1.892 . . . . 16.66 105.891 177.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.483 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.91 -45.48 5.92 Favored Glycine 0 C--N 1.308 -0.992 0 C-N-CA 119.61 -1.281 . . . . 16.66 111.417 -178.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.456 ' HG3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -81.25 -19.92 42.08 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.317 -0.623 . . . . 50.0 109.317 178.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 1.141 ' SG ' ' SG ' ' A' ' 11' ' ' CYS . 0.6 OUTLIER -51.84 -25.07 7.05 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.702 -0.851 . . . . 16.66 108.702 179.51 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.27 11.07 4.36 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 CA-C-N 115.206 -0.907 . . . . 16.66 110.829 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 72.36 47.06 30.65 Favored Glycine 0 N--CA 1.465 0.574 0 C-N-CA 121.182 -0.533 . . . . 16.66 112.768 178.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.483 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -111.08 165.8 6.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 121.159 -0.216 . . . . 16.66 110.682 -179.471 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' HB2' ' OE2' ' A' ' 44' ' ' GLU . 9.1 mp -60.34 165.45 3.58 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.407 0.623 . . . . 50.0 110.046 178.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.58 -56.99 4.0 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.085 -0.961 . . . . 25.0 110.861 -178.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.547 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 15.7 t -70.47 -16.0 62.87 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.58 -0.736 . . . . 50.0 109.212 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.757 ' HA ' HD11 ' A' ' 47' ' ' LEU . 2.7 tt0 -43.37 -18.76 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.668 0 CA-C-N 115.3 -0.864 . . . . 50.0 111.408 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.83 ' O ' HG21 ' B' ' 3' ' ' THR . . . -68.51 -50.86 48.94 Favored 'General case' 0 C--N 1.314 -0.967 0 C-N-CA 120.417 -0.513 . . . . 25.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -86.61 -43.07 12.94 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 114.154 1.168 . . . . 50.0 114.154 -178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.104 HD12 ' N ' ' A' ' 48' ' ' ILE . 2.1 pp -55.28 -25.1 31.82 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.204 0.446 . . . . 16.66 112.204 -177.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 1.104 ' N ' HD12 ' A' ' 47' ' ' LEU . 2.3 pp -84.92 172.13 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 120.247 -0.581 . . . . 25.0 109.438 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.675 ' C ' ' HB2' ' B' ' 1' ' ' ALA . 26.6 t70 -156.72 12.72 0.26 Allowed 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.101 -0.954 . . . . 50.0 109.453 -178.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -164.81 43.95 0.09 Allowed 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 106.151 -1.796 . . . . 50.0 106.151 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.811 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 8.6 t80 -65.62 148.29 51.99 Favored 'General case' 0 CA--C 1.498 -1.056 0 CA-C-N 114.818 -1.083 . . . . 16.66 110.55 -178.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.811 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 38.2 t -131.2 158.68 43.33 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-N 114.103 -1.408 . . . . 50.0 110.648 179.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.135 ' SG ' ' CB ' ' A' ' 56' ' ' CYS . 3.0 p -78.67 161.02 70.87 Favored Pre-proline 0 N--CA 1.415 -2.183 0 N-CA-C 109.15 -0.685 . . . . 16.66 109.15 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.536 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 38.4 Cg_endo -77.11 -37.21 1.13 Allowed 'Trans proline' 0 C--N 1.273 -3.403 0 C-N-CA 121.427 1.418 . . . . 16.66 111.508 -178.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -69.07 -29.77 67.96 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.007 -1.109 . . . . 50.0 108.007 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 1.151 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 62.3 m -60.04 -48.77 80.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.188 -1.369 . . . . 16.66 111.186 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.479 ' O ' ' N ' ' A' ' 61' ' ' ASP . 45.8 tt0 -54.01 -38.02 64.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.522 -0.763 . . . . 50.0 111.448 -178.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.485 ' O ' ' OD1' ' A' ' 61' ' ' ASP . 48.3 m -56.38 -33.06 65.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.841 0.353 . . . . 50.0 110.695 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.4 m -76.1 -64.07 1.18 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.221 -0.445 . . . . 50.0 111.143 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -66.66 -36.41 82.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.465 -0.334 . . . . 50.0 111.041 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.485 ' OD1' ' O ' ' A' ' 58' ' ' SER . 93.4 m-20 55.44 45.92 24.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 50.0 110.496 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.103 -0.951 . . . . 50.0 110.458 179.879 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.675 ' HB2' ' C ' ' A' ' 49' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.546 ' NH2' ' O ' ' A' ' 27' ' ' ASP . 35.8 mtm180 -78.33 52.2 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.31 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.83 HG21 ' O ' ' A' ' 45' ' ' ALA . 18.3 m -71.84 130.94 42.27 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.151 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' M3L . . . . . 0.886 HM22 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.471 ' HG3' HG22 ' B' ' 3' ' ' THR . 22.4 mt-30 -85.13 23.99 1.17 Allowed 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.494 ' O ' ' O ' ' B' ' 7' ' ' ALA . 1.5 p 42.66 -161.16 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.699 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.494 ' O ' ' O ' ' B' ' 6' ' ' THR . . . 34.32 98.12 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.474 ' O ' ' O ' ' B' ' 7' ' ' ALA . 89.7 mtt180 55.37 160.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.986 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -89.67 158.84 17.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.541 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 31.1 t -61.65 157.51 17.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.468 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 22.2 m -73.59 139.48 45.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.786 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.69 131.1 2.13 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.19 -12.6 58.34 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 22.3 mttt 65.52 42.21 3.83 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.792 0.33 . . . . 0.0 110.347 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.613 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . 0.413 'ZN ' ' SG ' ' A' ' 29' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . 0.437 'ZN ' ' SG ' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -53.68 147.0 41.76 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.704 2.269 . . . . 0.0 112.083 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.477 ' CD2' ' H ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -84.32 133.63 34.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.258 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.52 -177.3 51.19 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.96 -0.856 . . . . 50.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 7' ' ' THR . 91.0 p -138.11 159.8 41.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.753 0.311 . . . . 50.0 110.48 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -56.08 -36.89 68.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 50.0 110.68 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.401 ' O ' ' OG ' ' A' ' 5' ' ' SER . 52.5 m -122.19 139.84 53.28 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.253 -0.43 . . . . 50.0 110.7 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.607 ' C ' ' HG ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -134.72 -176.43 4.23 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.144 -0.48 . . . . 50.0 111.154 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.607 ' HG ' ' C ' ' A' ' 8' ' ' LYS . 9.2 mt -144.42 167.97 21.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.923 -0.58 . . . . 50.0 111.223 -178.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' HE2' ' N ' ' A' ' 17' ' ' TYR . 19.8 m-85 -120.64 -94.41 0.5 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.954 -0.566 . . . . 25.0 111.371 -178.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.949 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 12.4 t -35.94 137.66 0.22 Allowed 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.92 0.867 . . . . 16.66 112.396 -178.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.671 HG23 ' CD1' ' A' ' 33' ' ' TYR . 14.2 pt -51.96 -7.17 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 113.834 -1.53 . . . . 50.0 107.609 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -87.43 -20.1 27.11 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 113.187 -1.824 . . . . 16.66 110.818 -179.504 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' HB2' ' O ' ' A' ' 13' ' ' CYS . 61.9 mttp 76.97 79.52 0.08 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 179.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.592 ' OG1' ' NE2' ' A' ' 34' ' ' HIS . 39.0 p -148.26 148.73 30.03 Favored Pre-proline 0 N--CA 1.468 0.454 0 CA-C-O 120.755 0.312 . . . . 50.0 111.459 179.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -71.27 170.08 19.16 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 123.049 2.499 . . . . 50.0 111.773 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.726 ' CZ ' HM33 ' B' ' 4' ' ' M3L . 1.0 OUTLIER -75.01 130.52 39.49 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 121.562 0.696 . . . . 50.0 111.185 -179.097 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.648 ' C ' ' H ' ' A' ' 20' ' ' SER . 99.5 m-20 -140.96 129.17 22.21 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 114.622 -1.172 . . . . 50.0 109.116 177.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 19' ' ' GLU . 23.1 mp0 -66.07 8.75 0.18 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.934 -0.765 . . . . 50.0 108.934 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.648 ' H ' ' C ' ' A' ' 18' ' ' ASP . 38.5 m -100.7 -20.07 15.77 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 107.45 -1.315 . . . . 50.0 107.45 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.79 ' HG2' ' CD2' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -105.51 129.77 53.72 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 106.367 -1.716 . . . . 50.0 106.367 178.305 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.466 ' HD2' ' HB2' ' A' ' 45' ' ' ALA . 51.3 p90 -106.25 149.59 26.74 Favored 'General case' 0 CA--C 1.496 -1.105 0 C-N-CA 119.34 -0.944 . . . . 16.66 109.291 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.627 ' CG ' ' CM1' ' B' ' 4' ' ' M3L . 87.8 m-85 -123.51 167.84 13.37 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 117.308 2.336 . . . . 50.0 117.308 -173.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 1.007 ' H ' HD13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -146.3 128.02 7.67 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.256 0 CA-C-N 109.264 -3.607 . . . . 16.66 106.557 176.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 31' ' ' ASN . . . -92.01 126.05 8.34 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 120.743 -0.741 . . . . 16.66 114.12 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 1.446 ' SG ' ' CB ' ' A' ' 53' ' ' CYS . 2.0 t -48.35 108.43 0.17 Allowed 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.993 -1.114 . . . . 16.66 107.993 176.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.511 ' CB ' HG22 ' A' ' 52' ' ' VAL . 22.4 t70 -50.14 -38.16 37.89 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.434 -0.506 . . . . 25.0 110.499 -178.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.536 ' C ' HE21 ' A' ' 30' ' ' GLN . 0.1 OUTLIER -103.93 -37.03 7.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.04 -0.527 . . . . 50.0 110.574 179.495 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 1.341 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -77.32 -8.88 58.36 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-O 120.991 0.424 . . . . 16.66 110.858 -178.366 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.561 ' N ' ' HB3' ' A' ' 26' ' ' CYS . 10.4 mm-40 48.95 29.83 2.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.756 -0.656 . . . . 16.66 112.544 178.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.63 ' OD1' ' CZ ' ' A' ' 33' ' ' TYR . 19.9 p30 -134.74 169.15 17.78 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 119.59 -0.844 . . . . 50.0 111.207 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 1.029 ' CD1' HM22 ' B' ' 4' ' ' M3L . 0.0 OUTLIER -120.69 151.19 39.83 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 116.825 2.158 . . . . 16.66 116.825 -173.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.671 ' CD1' HG23 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -140.16 166.99 23.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 113.855 -1.52 . . . . 50.0 109.553 173.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.79 ' CD2' ' HG2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -75.73 137.53 40.67 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 105.525 -2.028 . . . . 16.66 105.525 176.071 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.589 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -42.04 -40.61 3.37 Favored Glycine 0 C--N 1.304 -1.239 0 C-N-CA 119.454 -1.355 . . . . 16.66 112.166 -177.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.486 ' C ' ' H ' ' A' ' 39' ' ' GLY . 0.0 OUTLIER -81.71 -21.87 37.73 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 109.208 -0.664 . . . . 50.0 109.208 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 1.008 ' SG ' ' SG ' ' A' ' 13' ' ' CYS . 4.6 t -52.31 -25.89 10.74 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 108.659 -0.867 . . . . 16.66 108.659 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.1 m -121.23 12.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 114.629 -1.168 . . . . 16.66 110.166 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' A' ' 36' ' ' ARG . . . 70.52 47.34 42.77 Favored Glycine 0 N--CA 1.462 0.408 0 CA-C-N 115.665 -0.698 . . . . 16.66 112.376 178.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.589 HG22 ' CA ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -116.73 169.14 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.14 0.495 . . . . 16.66 111.691 -179.084 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.521 ' N ' HG23 ' A' ' 40' ' ' ILE . 18.5 mt -60.51 166.38 3.18 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.388 -0.824 . . . . 50.0 111.074 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.448 HE21 ' HB3' ' A' ' 42' ' ' GLN . 2.8 tt0 -78.52 -54.18 6.43 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.618 -1.174 . . . . 25.0 110.042 -179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.566 ' O ' ' N ' ' A' ' 45' ' ' ALA . 24.8 m -70.85 -16.52 62.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.755 -1.111 . . . . 50.0 109.86 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.866 ' HA ' HD11 ' A' ' 47' ' ' LEU . 1.4 mm-40 -42.16 -17.0 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.872 -0.604 . . . . 50.0 110.698 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.891 ' O ' HG21 ' B' ' 3' ' ' THR . . . -82.53 -54.69 4.98 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.347 -0.388 . . . . 25.0 112.028 -179.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.559 ' C ' ' H ' ' A' ' 48' ' ' ILE . 55.3 mp0 -77.6 -51.48 10.58 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.659 0.985 . . . . 50.0 113.659 -177.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.866 HD11 ' HA ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -72.05 15.13 0.17 Allowed 'General case' 0 CA--C 1.494 -1.181 0 CA-C-O 121.054 0.454 . . . . 16.66 110.354 -179.352 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.822 ' HB ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -112.08 149.8 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 CA-C-N 115.26 -0.882 . . . . 25.0 113.214 -176.061 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.74 ' H ' HD13 ' A' ' 48' ' ' ILE . 60.3 t0 -166.54 36.65 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.466 -1.243 . . . . 50.0 110.09 -178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.601 ' N ' ' HB2' ' B' ' 1' ' ' ALA . 23.1 pt-20 -168.96 11.11 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.995 -0.743 . . . . 50.0 108.995 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.604 ' CZ ' ' O ' ' A' ' 52' ' ' VAL . 5.8 t80 -68.97 147.46 51.58 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 115.535 -0.757 . . . . 16.66 111.005 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.604 ' O ' ' CZ ' ' A' ' 51' ' ' TYR . 39.3 t -134.07 159.9 42.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 114.79 -1.095 . . . . 50.0 108.811 177.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.446 ' CB ' ' SG ' ' A' ' 26' ' ' CYS . 7.5 p -78.64 155.07 78.64 Favored Pre-proline 0 N--CA 1.413 -2.29 0 CA-C-O 121.488 0.661 . . . . 16.66 109.672 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.434 ' HD2' ' HB2' ' A' ' 53' ' ' CYS . 41.4 Cg_endo -76.13 -30.5 5.57 Favored 'Trans proline' 0 C--N 1.277 -3.224 0 C-N-CA 121.839 1.693 . . . . 16.66 111.202 -178.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.669 ' NE2' HG22 ' A' ' 12' ' ' ILE . 52.2 mt-30 -69.26 -32.39 71.55 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.632 -1.247 . . . . 50.0 107.632 177.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 1.16 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 5.6 m -65.07 -40.8 95.22 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.205 -1.361 . . . . 16.66 110.32 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 60' ' ' GLU . 96.1 mt-30 -55.66 -26.21 43.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.584 -0.734 . . . . 50.0 111.085 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.8 m -58.73 -33.16 69.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.351 -0.386 . . . . 50.0 110.67 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.453 HG21 ' NH2' ' A' ' 28' ' ' ARG . 0.2 OUTLIER -98.03 -64.77 1.01 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.019 0.377 . . . . 50.0 112.019 -179.188 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 62' ' ' ALA . 98.8 mt-10 59.21 16.31 4.82 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.735 0.303 . . . . 50.0 110.416 -178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 38.07 -88.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 50.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 60' ' ' GLU . . . . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 118.033 -0.984 . . . . 50.0 110.6 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.601 ' HB2' ' N ' ' A' ' 50' ' ' GLU . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.544 ' NH2' ' O ' ' A' ' 26' ' ' CYS . 10.6 ttp-105 -82.98 53.84 2.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.752 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.891 HG21 ' O ' ' A' ' 45' ' ' ALA . 33.5 m -68.17 141.77 55.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.784 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' M3L . . . . . 1.029 HM22 ' CD1' ' A' ' 32' ' ' TRP . . . . . . . . 0 N--CA 1.46 0.069 0 CA-C-O 121.045 0.45 . . . . 0.0 110.004 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.422 ' NE2' ' HB1' ' A' ' 45' ' ' ALA . 0.6 OUTLIER -74.35 163.39 27.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.526 -179.407 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 15.8 p -71.34 160.75 32.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.57 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.05 176.24 5.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.762 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 61.61 100.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.701 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -75.88 138.36 41.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.101 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.763 ' O ' ' N ' ' B' ' 13' ' ' GLY . 19.4 t -55.39 -45.85 76.59 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.719 -0.393 . . . . 0.0 110.693 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.443 ' C ' ' O ' ' B' ' 10' ' ' SER . 64.6 m 33.5 -99.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.476 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.539 ' O ' ' N ' ' B' ' 14' ' ' LYS . . . -94.72 9.3 71.06 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 111.451 -0.66 . . . . 0.0 111.451 -179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.763 ' N ' ' O ' ' B' ' 10' ' ' SER . . . -64.14 57.93 0.07 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' B' ' 12' ' ' GLY . 19.1 tptm -56.02 -35.37 66.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.693 0.282 . . . . 0.0 110.326 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.486 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_